LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Eu", "Tl" ]

4

A3B

Eu3Tl

Eu3 Tl1

2

[ 1, 1, 1 ]

3

[ [ 5.21875442, 0, 0 ], [ 0, 5.21875442, 0 ], [ -2.60937721, -2.60937721, 5.07164826 ] ]

agm001280898

[ [ 2.60937721, 0, 2.53582413 ], [ 0, 2.60937721, 2.53582413 ], [ 2.60937721, 2.60937721, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Eu", "Eu", "Eu", "Tl" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 3.508481, 0, 0 ], [ 0, 3.508481, 0 ], [ 0, 0, 3.4591403 ] ]

-33.668737

[ -6.859, -6.859, 6.9, 0.013 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-6.985061

12.186505

pbe

true

615d8795f75e00ea6f2b640756b7f5b4_139_Eu3Tl1

[ "Ni", "P" ]

6

A5B

Ni5P

Ni5 P1

2

[ 1, 1, 1 ]

3

[ [ 2.14610224, -3.71715812, 0 ], [ 2.14610224, 3.71715812, 0 ], [ 0, 0, 4.01129087 ] ]

agm005461638

[ [ 1.443788951376611, -2.5007158205919655, 0 ], [ 1.4046265772467774, 2.142334800379899e-17, 0 ], [ 1.443788951376611, 2.5007158205919655, 0 ], [ 2.14610224, -1.2390527314477209, 2.005645435 ], [ 2.14610224, 1.239052731447721, 2.005645435 ], [ 0, 0, 2.005645435 ] ]

[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Ni", "Ni", "Ni", "Ni", "Ni", "P" ]

2023-11-16 06:57:59

[ 0.8333333333333334, 0.16666666666666666 ]

[ [ -13.978907, 0, 0 ], [ 0, -13.978907, 0 ], [ 0, 0, -13.892679 ] ]

-35.310221

[ 0.195, 0.195, 0.195, 0.061, 0.061, 0.006 ]

[ [ -0.00284364, 0.00492533, 0 ], [ 0.00568728, 0, 0 ], [ -0.00284364, -0.00492533, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.673846

8.904264

pbe

true

a6965910295a9021aa9a74191acade0f_189_Ni5P1

[ "As", "Li", "Sb" ]

4

A2BC

AsLiSb2

Li1 Sb2 As1

3

[ 1, 1, 1 ]

3

[ [ 5.7242858, 0.00083225, 0 ], [ 2.33143344, 5.22798878, 0 ], [ -4.02785616, -2.61440827, 3.11587753 ] ]

agm004281540

[ [ 1.16571845, 2.6139955124999994, 1.557938765 ], [ 2.86214463, 0.0004172474999997178, 1.557938765 ], [ 0, 0, 0 ], [ 4.02785962, 2.614410515, 0 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "As", "Li", "Sb", "Sb" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.36289883, 0.15612368, 1.4e-7 ], [ 0.15612368, 0.22370583, 9e-8 ], [ 1.4e-7, 9e-8, 0.12236928 ] ]

-14.671908

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.00002

2.212574

pbe

true

065c02bc86722b2e3a90da0da198bdd0_139_Li1Sb2As1

[ "Au", "In", "Pt" ]

8

A6BC

Au6InPt

In1 Pt1 Au6

3

[ 1, 1, 1 ]

3

[ [ 4.830551, 0, 0 ], [ 0, 5.52206446, -2.34767433 ], [ 0, -0.80847297, 5.76653617 ] ]

agm005813470

[ [ 2.4152755, 3.435164530289882, 0.411818470903177 ], [ 0, 4.041248277191682, 1.837406649206011 ], [ 0, 4.481474225225415, -1.0311549854573425 ], [ 0, 1.6700665204239078, 0.16409902643202895 ], [ 0, 1.3034116933806157, 3.0658186322453127 ], [ 2.4152755, 3.014234071172445, 3.2556471739355914 ], [ 2.4152755, 0.2530774290601613, 4.429537232038246 ], [ 2.4152755, 0.6556854185786617, 1.5422659283454794 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "In", "Pt", "Au", "Au", "Au", "Au", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.75, 0.125, 0.125 ]

[ [ 7.463681, 0, 0 ], [ 0, 7.2630534, 0.12591192 ], [ 0, 0.12591192, 7.5056877 ] ]

-29.009057

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.00198244, 0.00466299 ], [ 0, 0.00116947, 0.00275076 ], [ 0, -0.00128619, -0.00152549 ], [ 0, -0.00020613, -0.00198467 ], [ 0, -0.00015408, -0.00036242 ], [ 0, 0.00139328, -0.00168818 ], [ 0, -0.00218242, -0.00016799 ], [ 0, -0.00071637, -0.00168501 ] ]

0

3.236602

pbe

true

baa318df0345ca53e244490cad0ac03f_38_In1Pt1Au6

[ "Bi", "Hg", "Rb" ]

5

A2B2C

Bi2HgRb2

Rb2 Hg1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 5.41567034, 0, 0 ], [ 0, 4.66474432, -1.51381595 ], [ 0, 0.12804694, 8.3385653 ] ]

agm005894609

[ [ 0, 3.256775808096207, 2.0916032525620922 ], [ 0, 4.42476964436312, 5.690709308629941 ], [ 2.70783517, 0.572494154441796, 1.7641118537664273 ], [ 2.70783517, 1.5224757965071378, 4.691432355863094 ], [ 2.70783517, 2.348557485757148, -0.7070337102520989 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "Hg", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 1.1410921, 0, 0 ], [ 0, 0.9558416, 0.06003287 ], [ 0, 0.06003287, 1.1213485 ] ]

-11.087078

[ 0, 0, 0, 0, 0 ]

[ [ 0, -0.00038801, -0.00119564 ], [ 0, 0.00025626, 0.00078964 ], [ 0, 0.00028024, 0.00086356 ], [ 0, -0.00084934, -0.0026172 ], [ 0, 0.00070085, 0.00215965 ] ]

0

3.430033

pbe

true

de235808c5026137feb193bc38c4172f_38_Rb2Hg1Bi2

[ "Bi", "Se", "Tm" ]

10

A3BC

BiSe3Tm

Tm2 Bi2 Se6

3

[ 1, 1, 1 ]

3

[ [ 8.70219213, 1e-8, 0 ], [ 2.9e-7, 7.07171094, 0 ], [ 0, 0, 18.76951068 ] ]

agm2000100737

[ [ 4.585618187120101, 1.1149111014769237, 9.38475534 ], [ 4.116574179321484, 4.6507666416550375, 9.38475534 ], [ 1.3238680628964572, 0.15267053255097948, 9.38475534 ], [ 7.378324224625098, 3.6885257266399334, 9.384755152304892 ], [ 5.584581361741046, 2.976210526606705, 11.26951039515053 ], [ 3.1176110703366806, 6.512066135206039, 7.500000472544576 ], [ 3.1176112443805173, 6.512065993771821, 11.269510770540744 ], [ 5.58458136174104, 2.976210385172486, 7.500000097154363 ], [ 6.6430796876914835, 6.327769007541973, 9.384755152304892 ], [ 2.05911281629269, 2.7919136737085912, 9.38475534 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Tm", "Tm", "Bi", "Bi", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.09338525, 0, 0 ], [ 0, 0.11438409, 0 ], [ 0, 0, -0.0437653 ] ]

-46.733681

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00512093, 0.00331517, 0 ], [ 0.00512093, 0.00331517, 0 ], [ 0.00460493, 0.00176902, 0 ], [ -0.00460493, 0.00176902, 0 ], [ -0.003766, 0.00049238, -0.00383876 ], [ 0.003766, 0.00049238, 0.00383876 ], [ 0.003766, 0.00049238, -0.00383876 ], [ -0.003766, 0.00049238, 0.00383876 ], [ 0.00113131, -0.00606895, 0 ], [ -0.00113131, -0.00606895, 0 ] ]

0

pbe

true

cbd6e7cd2b7e41224310c6e93ab57695_26_Tm2Bi2Se6

[ "Br", "Nb", "Sn" ]

4

A2BC

BrNbSn2

Nb1 Sn2 Br1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.64545913, 3.64545913 ], [ 3.64545913, 0, 3.64545913 ], [ 3.64545913, 3.64545913, 0 ] ]

agm002649489

[ [ 3.64545913, 3.64545913, 3.64545913 ], [ 1.822729565, 1.822729565, 1.822729565 ], [ 5.468188695, 5.468188695, 5.468188695 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]

[ "Nb", "Sn", "Sn", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 4.1158977, 0, 0 ], [ 0, 4.1158977, 0 ], [ 0, 0, 4.1158977 ] ]

-17.211096

[ 1.168, 0.021, 0.021, 0.026 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.638554

3.892048

pbe

true

5730c20bdf8c6aca9462ad053deef2f7_225_Nb1Sn2Br1

[ "Cd", "Mg", "Tl" ]

14

A4B2C

CdMg4Tl2

Mg8 Tl4 Cd2

3

[ 1, 1, 1 ]

3

[ [ 9.8675071, 0, 0 ], [ 0, 6.50858557, -1.50002093 ], [ 0, 0.57738663, 5.38425553 ] ]

agm005853314

[ [ 7.583010175953377, 4.575636755514445, -0.9794317213184263 ], [ 6.629766559812846, 3.3290354740177435, 2.0246325956774642 ], [ 8.171494090187153, 6.583328259017743, 1.2746221306774643 ], [ 7.218250474046622, 1.3213439705144447, -0.2294212563184263 ], [ 2.6492566259533765, 5.764628229485555, 4.1136558563184265 ], [ 1.696013009812847, 0.502643940982257, 2.6096124693225358 ], [ 3.237740540187153, 3.756936725982257, 1.859602004322536 ], [ 2.2844969240466226, 2.5103354444855555, 4.863666321318426 ], [ 0.34878233308550494, 4.155513896263096, 0.5942438833249103 ], [ 9.518724766914495, 2.930458303736904, 3.28999071667509 ], [ 5.2825358830855045, 6.184751088736904, 2.5399802516750896 ], [ 4.584971216914495, 0.9012211112630962, 1.34425434832491 ], [ 0, 0, 0 ], [ 4.93375355, 3.254292785, -0.750010465 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Tl", "Tl", "Tl", "Tl", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.5714285714285714, 0.2857142857142857 ]

[ [ 3.254521, 0, 0 ], [ 0, 3.3599975, -0.17192477 ], [ 0, -0.17192456, 3.2136285 ] ]

-23.639486

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.01106994, 0.00887919, 0.02397708 ], [ -0.00493134, -0.00994067, -0.02790777 ], [ 0.00493134, -0.00994067, -0.02790777 ], [ 0.01106994, 0.00887919, 0.02397708 ], [ -0.01106994, -0.00887919, -0.02397708 ], [ -0.00493134, 0.00994067, 0.02790777 ], [ 0.00493134, 0.00994067, 0.02790777 ], [ 0.01106994, -0.00887919, -0.02397708 ], [ 0.00466378, 0.00218456, 0.00286593 ], [ -0.00466378, -0.00218456, -0.00286593 ], [ 0.00466378, -0.00218456, -0.00286593 ], [ -0.00466378, 0.00218456, 0.00286593 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

4.374131

pbe

true

354e92714425fb76346b1758b74a4618_14_Mg8Tl4Cd2

[ "Co", "Eu", "Pa" ]

4

A2BC

Co2EuPa

Eu1 Pa1 Co2

3

[ 1, 1, 1 ]

3

[ [ 3.34115364, 0, 0 ], [ 0, 3.34115364, 0 ], [ 0, 0, 7.0684653 ] ]

agm001155823

[ [ 1.67057682, 1.67057682, 3.53423265 ], [ 1.67057682, 1.67057682, 0 ], [ 0, 0, 5.748396466176702 ], [ 0, 0, 1.320068833823298 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Eu", "Pa", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.093448, 0, 0 ], [ 0, 2.093448, 0 ], [ 0, 0, 2.0509737 ] ]

-34.574687

[ 6.826, 0.133, -0.134, -0.134 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00237971 ], [ 0, 0, 0.00237971 ] ]

6.953831

7.957717

pbe

true

1f2a5424c5c1125135831c2c770745b3_123_Eu1Pa1Co2

[ "Er", "O", "Th" ]

11

A7B2C2

Er2O7Th2

Er2 Th2 O7

3

[ 1, 1, 1 ]

3

[ [ 3.89913805, 0, 0 ], [ 0, 3.89913805, 0 ], [ 0, 0, 10.93262072 ] ]

agm002175503

[ [ 0, 1.949569025, 1.36657759 ], [ 1.949569025, 0, 3.815076735200937 ], [ 0, 1.949569025, 4.123061561375786 ], [ 1.949569025, 0, 6.83288795 ], [ 0, 1.949569025, 6.83288795 ], [ 1.949569025, 0, 9.850699164799062 ], [ 0, 1.949569025, 9.542714338624213 ], [ 0, 0, 5.407938474146946 ], [ 1.949569025, 1.949569025, 8.257837425853053 ], [ 0, 0, 10.813713819958235 ], [ 1.949569025, 1.949569025, 2.8520620800417644 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}]

[ "O", "O", "O", "O", "O", "O", "O", "Th", "Th", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.6363636363636364, 0.18181818181818182 ]

[ [ -0.09323304, 0, 0 ], [ 0, -0.09323304, 0 ], [ 0, 0, 1.4864038 ] ]

-98.933336

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.0042412 ], [ 0, 0, 0.00202186 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0042412 ], [ 0, 0, -0.00202186 ], [ 0, 0, -0.00103051 ], [ 0, 0, 0.00103051 ], [ 0, 0, 0.00724517 ], [ 0, 0, -0.00724517 ] ]

0

pbe

true

0c4f720fc408661a57515013e304db45_115_Er2Th2O7

[ "Ge", "N", "Zn" ]

4

A2BC

GeN2Zn

Zn1 Ge1 N2

3

[ 1, 1, 1 ]

3

[ [ 0, 2.75305915, 2.75305915 ], [ 2.75305915, 0, 2.75305915 ], [ 2.75305915, 2.75305915, 0 ] ]

agm002707495

[ [ 2.75305915, 2.75305915, 2.75305915 ], [ 0, 0, 0 ], [ 1.376529575, 1.376529575, 1.376529575 ], [ 4.129588725, 4.129588725, 4.129588725 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Ge", "Zn", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -5.477082, 0, 0 ], [ 0, -5.477082, 0 ], [ 0, 0, -5.477082 ] ]

-17.175958

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000193

3.04637

pbe

true

916f872c761b0f3c9f5ed16335877e60_225_Zn1Ge1N2

[ "Hg", "Ho", "Lu" ]

4

A2BC

HgHoLu2

Ho1 Lu2 Hg1

3

[ 1, 1, 1 ]

3

[ [ 3.52796093, 0, 0 ], [ 0, 3.52796093, 0 ], [ 0, 0, 8.82502887 ] ]

agm001161090

[ [ 0, 0, 6.857818827763527 ], [ 0, 0, 1.9672100422364733 ], [ 1.763980465, 1.763980465, 0 ], [ 1.763980465, 1.763980465, 4.412514435 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Lu", "Lu", "Hg", "Ho" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.1338868, 0, 0 ], [ 0, 1.1338868, 0 ], [ 0, 0, 1.3027768 ] ]

-14.835348

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00684331 ], [ 0, 0, 0.00684331 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000683

4.016413

pbe

true

aa6fbb2cb69209ba89c96d5e1d46a997_123_Ho1Lu2Hg1

[ "Nd", "Pm", "Pr" ]

10

A5B4C

Nd5PmPr4

Pm1 Pr4 Nd5

3

[ 1, 1, 1 ]

3

[ [ 3.43947709, 0, -0.84701381 ], [ -0.32478738, 6.86740321, -1.31886814 ], [ 1.75800411, 1.03588768, 14.5455994 ] ]

agm006030335

[ [ 1.719738545, 0, -0.423506905 ], [ 2.2031467099405084, 5.762406417306585, 1.5394628089836226 ], [ 4.313103903520201, 5.653404503283048, 10.107380149908622 ], [ 2.6695471100594914, 2.140884472693415, 10.840254641016378 ], [ 0.5595899164797995, 2.249886386716952, 2.2723373000913787 ], [ 1.2104254660914517, 4.543136638384491, 4.915181525251399 ], [ 1.399523682676264, 1.1347218477507743, 5.683047430605495 ], [ 3.4731701373237356, 6.768569042249227, 6.696670019394506 ], [ 1.557344855, 3.433701605, -1.082940975 ], [ 3.6622683539085483, 3.3601542516155103, 7.464535924748601 ] ]

[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Pm", "Pr", "Pr", "Pr", "Pr", "Nd", "Nd", "Nd", "Nd", "Nd" ]

2023-11-16 06:57:59

[ 0.5, 0.1, 0.4 ]

[ [ 1.2011595, -0.00419708, 0.04167476 ], [ -0.00419709, 1.2335638, -0.01704348 ], [ 0.04167476, -0.01704346, 1.3601247 ] ]

-46.406368

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.00153434, -0.00343977, -0.00623049 ], [ 0.00069103, 0.00241544, 0.00280608 ], [ 0.00153434, 0.00343977, 0.00623049 ], [ -0.00069103, -0.00241544, -0.00280608 ], [ -0.00072426, 0.00017403, -0.00294099 ], [ -0.00041482, -0.00161016, -0.00168446 ], [ 0.00041482, 0.00161016, 0.00168446 ], [ 0, 0, 0 ], [ 0.00072426, -0.00017403, 0.00294099 ] ]

-0.000021

16.989286

pbe

true

4a7e0b1e81aa207dc2427928dc6cc5ea_12_Pm1Pr4Nd5

[ "Os", "Se", "U" ]

9

A6B2C

OsSe2U6

U6 Os1 Se2

3

[ 1, 1, 1 ]

3

[ [ 3.44238423, 0, 0 ], [ 0, 7.96787803, 0 ], [ 0, -3.98393902, 6.90038479 ] ]

agm002314966

[ [ 1.721192115, 0, 0 ], [ 0, 2.894292369286971, 5.013061443137123 ], [ 0, -1.8046457358388444, 6.90038479 ], [ 0, -1.0896466434481273, 1.8873233468628774 ], [ 1.721192115, 1.7601322617092399, 3.048638509927074 ], [ 1.721192115, 4.447613502163449, 0 ], [ 1.721192115, 5.74407127612731, 3.8517462800729265 ], [ 0, 3.983939053172723, 2.3001282403320507 ], [ 0, -4.3172724192736613e-8, 4.600256549667949 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "Os", "U", "U", "U", "U", "U", "U", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.2222222222222222, 0.6666666666666666 ]

[ [ 4.1264467, 0, 0 ], [ 0, 4.2536435, 0 ], [ 0, 0, 4.2536435 ] ]

-88.809277

[ -0.165, 1.1, 1.1, 1.1, 1.477, 1.477, 1.477, -0.023, -0.023 ]

[ [ 0, 0, 0 ], [ 0, -0.00082429, -0.00142771 ], [ 0, 0.00164858, 0 ], [ 0, -0.00082429, 0.00142771 ], [ 0, -0.00146953, -0.0025453 ], [ 0, 0.00293906, 0 ], [ 0, -0.00146953, 0.0025453 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

7.987957

22.24186

pbe

true

48332f4fcd59497253d539e94ac9a752_189_U6Os1Se2

[ "P", "Ti", "Zn" ]

5

A3BC

P3TiZn

Ti1 Zn1 P3

3

[ 1, 1, 1 ]

3

[ [ 4.54847797, 0, 0 ], [ 0, 4.54847797, 0 ], [ 0, 0, 4.54847797 ] ]

agm002566311

[ [ 0, 2.274238985, 0 ], [ 0, 0, 2.274238985 ], [ 2.274238985, 0, 0 ], [ 0, 0, 0 ], [ 2.274238985, 2.274238985, 2.274238985 ] ]

[{"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "P", "P", "Zn", "Ti" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 2.4569964, 0, 0 ], [ 0, 2.4569964, 0 ], [ 0, 0, 2.4569964 ] ]

-21.155811

[ 0, 0, 0, 0, 0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000522

5.299373

pbe

true

420a543692ecd057835ae66ead0742f2_221_Ti1Zn1P3

[ "Ag", "Cu", "I", "K" ]

16

A4B2CD

Ag2CuI4K

K2 Cu2 Ag4 I8

4

[ 1, 1, 1 ]

3

[ [ 7.81760811, 0, 0 ], [ 0, 8.00153575, 0 ], [ 0, 0, 9.90311779 ] ]

agm004786604

[ [ 0.0506283154659009, 1.2922773892612025, 4.951558895 ], [ 3.9594323704659007, 6.709258360738798, 0 ], [ 3.911637312531226, 6.518085828630513, 4.951558895 ], [ 0.0028332575312262002, 1.4834499213694876, 0 ], [ 3.869487114884539, 2.6655401622013777, 2.496158479412973 ], [ 3.869487114884539, 2.6655401622013777, 7.406959310587026 ], [ 7.778291169884539, 5.335995587798623, 7.447717374412973 ], [ 7.778291169884539, 5.335995587798623, 2.455400415587026 ], [ 2.6155489499509463, 1.8835846399883176, 0 ], [ 6.524353004950946, 6.117951110011682, 4.951558895 ], [ 3.516378499257059, 1.133506996157185, 4.951558895 ], [ 7.425182554257058, 6.868028753842815, 0 ], [ 2.8096095793977742, 5.309712303197737, 7.010040567002624 ], [ 6.718413634397774, 2.6918234468022626, 2.058481672002624 ], [ 6.718413634397774, 2.6918234468022626, 7.844636117997376 ], [ 2.8096095793977742, 5.309712303197737, 2.8930772229973756 ] ]

[{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "K", "K", "Cu", "Cu", "Ag", "Ag", "Ag", "Ag", "I", "I", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.25, 0.125, 0.5, 0.125 ]

[ [ -0.45718226, 0, 0 ], [ 0, -0.58667135, 0 ], [ 0, 0, -0.3992229 ] ]

-42.299824

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00092681, -0.00057019, 0 ], [ -0.00092681, 0.00057019, 0 ], [ 0.00524912, -0.04921714, 0 ], [ 0.00524912, 0.04921714, 0 ], [ -0.00056327, 0.00018555, 0.00157228 ], [ -0.00056327, 0.00018555, -0.00157228 ], [ -0.00056327, -0.00018555, 0.00157228 ], [ -0.00056327, -0.00018555, -0.00157228 ], [ -0.00062102, 0.00184162, 0 ], [ -0.00062102, -0.00184162, 0 ], [ -0.00043894, 0.00072084, 0 ], [ -0.00043894, -0.00072084, 0 ], [ -0.00106791, -0.00112212, 0.00138239 ], [ -0.00106791, 0.00112212, 0.00138239 ], [ -0.00106791, 0.00112212, -0.00138239 ], [ -0.00106791, -0.00112212, -0.00138239 ] ]

0

-0.000501

pbe

true

1cdbda17ef990d7304f3b57dc1eee892_31_K2Cu2Ag4I8

[ "Al", "As", "Co", "Se" ]

5

A2BCD

AlAsCoSe2

Al1 Co1 As1 Se2

4

[ 1, 1, 1 ]

3

[ [ 4.8759762, 0, 0 ], [ 0, 4.8759762, 0 ], [ 0, 0, 4.76526052 ] ]

agm001786405

[ [ 0, 0, 2.38263026 ], [ 2.4379881, 2.4379881, 2.38263026 ], [ 0, 0, 0 ], [ 0, 2.4379881, 0 ], [ 2.4379881, 0, 0 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]

[ "As", "Co", "Al", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.38499725, 0, 0 ], [ 0, 0.38499725, 0 ], [ 0, 0, 0.5699472 ] ]

-18.803465

[ -0.061, 2.147, -0.001, 0.022, 0.022 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.115791

5.276174

pbe

true

402db74730922d780f5411b3c17cc396_123_Al1Co1As1Se2

[ "As", "Br", "Cr", "Na" ]

5

A2BCD

As2BrCrNa

Na1 Cr1 As2 Br1

4

[ 1, 1, 1 ]

3

[ [ 5.09176891, 0, 0 ], [ 0, 5.09176891, 0 ], [ 0, 0, 5.27096748 ] ]

agm001674009

[ [ 2.545884455, 2.545884455, 2.63548374 ], [ 0, 2.545884455, 0 ], [ 2.545884455, 0, 0 ], [ 0, 0, 2.63548374 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]

[ "Cr", "As", "As", "Br", "Na" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.41615242, 0, 0 ], [ 0, 0.41615242, 0 ], [ 0, 0, 0.5823244 ] ]

-17.210444

[ 4.146, -0.33, -0.33, -0.179, -0.002 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.056845

4.056219

pbe

true

b94e1b19089e79c059fb960ca5211ec1_123_Na1Cr1As2Br1

[ "Br", "Ge", "K", "Se" ]

5

A2BCD

BrGeKSe2

K1 Ge1 Se2 Br1

4

[ 1, 1, 1 ]

3

[ [ 5.78332536, 0, 0 ], [ 0, 5.78332536, 0 ], [ 0, 0, 5.69084103 ] ]

agm001791739

[ [ 0, 0, 0 ], [ 2.89166268, 2.89166268, 2.845420515 ], [ 0, 2.89166268, 0 ], [ 2.89166268, 0, 0 ], [ 0, 0, 2.845420515 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]

[ "K", "Ge", "Se", "Se", "Br" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.5542181, 0, 0 ], [ 0, 0.5542181, 0 ], [ 0, 0, 0.64954484 ] ]

-10.889263

[ 0.04, -0.197, 0.69, 0.69, 0.13 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.015993

5.481207

pbe

true

92f704d6edff97490b0598ad51c094c2_123_K1Ge1Se2Br1

[ "Ca", "Cd", "Cl", "Rb" ]

5

A2BCD

Ca2CdClRb

Rb1 Ca2 Cd1 Cl1

4

[ 1, 1, 1 ]

3

[ [ 5.5632406, 0, 0 ], [ 0, 7.02458591, 0 ], [ 0, 0, 5.5632406 ] ]

agm001597486

[ [ 0, 0, 2.7816203 ], [ 2.7816203, 0, 0 ], [ 0, 0, 0 ], [ 2.7816203, 3.512292955, 2.7816203 ], [ 0, 3.512292955, 0 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Ca", "Ca", "Cl", "Rb", "Cd" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 1.0217576, 0, 0 ], [ 0, 0.7189903, 0 ], [ 0, 0, 1.0217576 ] ]

-9.697156

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

5.248851

pbe

true

6c14d31d5581095a483986056348b720_123_Rb1Ca2Cd1Cl1

[ "Sc", "Sm", "Tb" ]

12

A9B2C

ScSm2Tb9

Tb9 Sm2 Sc1

3

[ 1, 1, 1 ]

3

[ [ 5.02338962, 0, 0 ], [ 0, 5.02338962, 0 ], [ 0, 0, 15.02553441 ] ]

agm005877280

[ [ 2.51169481, 2.51169481, 0 ], [ 2.51169481, 2.51169481, 4.961490963298264 ], [ 2.51169481, 2.51169481, 10.064043446701737 ], [ 2.51169481, 0, 2.4198179914039906 ], [ 2.51169481, 0, 7.512767205 ], [ 2.51169481, 0, 12.60571641859601 ], [ 0, 2.51169481, 2.4198179914039906 ], [ 0, 2.51169481, 7.512767205 ], [ 0, 2.51169481, 12.60571641859601 ], [ 0, 0, 4.972208376482229 ], [ 0, 0, 10.053326033517772 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Sm", "Sm", "Sc" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.16666666666666666, 0.75 ]

[ [ 0.5611621, 0, 0 ], [ 0, 0.5611621, 0 ], [ 0, 0, 0.5596976 ] ]

-57.103537

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00123978 ], [ 0, 0, -0.00123978 ], [ 0, 0, -0.00076743 ], [ 0, 0, 0 ], [ 0, 0, 0.00076743 ], [ 0, 0, -0.00076743 ], [ 0, 0, 0 ], [ 0, 0, 0.00076743 ], [ 0, 0, -0.00142841 ], [ 0, 0, 0.00142841 ], [ 0, 0, 0 ] ]

0.000314

18.944122

pbe

true

686201f82b71077677cd32ab4f9b4d7d_123_Tb9Sm2Sc1

[ "Sm", "Tl", "Y" ]

12

A4BC

Sm4TlY

Sm8 Y2 Tl2

3

[ 1, 1, 1 ]

3

[ [ 6.50905714, -0.77650626, 0 ], [ -2.61496435, 8.73625496, 0 ], [ -1.9470464, -3.97987434, 7.15471275 ] ]

agm003734512

[ [ -1.623483940912963, -1.6132940578001278, 5.3834175810502725 ], [ 1.846471304138729, 3.183938507106047, 4.437782058767873 ], [ -1.6310446366113327, 2.0015472028487205, 5.3834175810502725 ], [ -1.2069071164909728, 5.164063422661704, 4.437782058767873 ], [ 3.1539535064909727, -1.184189062661703, 2.7169306912321276 ], [ 3.5780910266113333, 1.9783271571512802, 1.7712951689497274 ], [ 0.10057508586127112, 0.7959358528939537, 2.7169306912321276 ], [ 3.5705303309129635, 5.593168417800128, 1.7712951689497274 ], [ 0.31978405617152134, 4.174004896624098, 1.2518937170174251 ], [ 1.6272623338284784, -0.1941305366240962, 5.902819032982575 ], [ 1.627262337953206, -0.19413054487355202, 0.00057094607745 ], [ 0.31978405204679394, 4.174004904873553, 7.15414180392255 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Y", "Y", "Tl", "Tl" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 1.2766943, -0.02400234, 0 ], [ -0.02400161, 1.1754023, 0 ], [ 0, 0, 1.2577081 ] ]

-55.698666

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00177032, 0.0005415, -0.00308681 ], [ -0.00040964, -0.0030751, -0.00200534 ], [ 0.00177032, -0.0005415, -0.00308681 ], [ 0.00040964, 0.0030751, -0.00200534 ], [ -0.00040964, -0.0030751, 0.00200534 ], [ -0.00177032, 0.0005415, 0.00308681 ], [ 0.00040964, 0.0030751, 0.00200534 ], [ 0.00177032, -0.0005415, 0.00308681 ], [ 0, 0, 0.01001016 ], [ 0, 0, -0.01001016 ], [ 0, 0, -0.00178636 ], [ 0, 0, 0.00178636 ] ]

-0.000074

15.337181

pbe

true

0547994d4a4d5c0f06be7a795e0a7969_15_Sm8Y2Tl2

[ "Al", "Pb", "Pd", "Re" ]

5

A2BCD

AlPbPd2Re

Al1 Re1 Pd2 Pb1

4

[ 1, 1, 1 ]

3

[ [ 4.9558367, 0, 0 ], [ 0, 5.14214237, 0 ], [ 0, 0, 4.9558367 ] ]

agm001489802

[ [ 0, 0, 0 ], [ 0, 2.571071185, 0 ], [ 2.47791835, 2.571071185, 2.47791835 ], [ 0, 0, 2.47791835 ], [ 2.47791835, 0, 0 ] ]

[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Pb", "Re", "Al", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 5.6631823, 0, 0 ], [ 0, 5.55434, 0 ], [ 0, 0, 5.6631823 ] ]

-22.37786

[ -0.039, 1.673, -0.04, -0.005, 0.007 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.689041

5.131941

pbe

true

647f8adb9fc0fd2711c1317667afc233_123_Al1Re1Pd2Pb1

[ "B", "Cl", "Cr", "Hf" ]

5

A2BCD

B2ClCrHf

Hf1 Cr1 B2 Cl1

4

[ 1, 1, 1 ]

3

[ [ 4.16311942, 0, 0 ], [ 0, 4.07338812, 0 ], [ 0, 0, 4.16311942 ] ]

agm001484716

[ [ 0, 2.03669406, 0 ], [ 0, 0, 2.08155971 ], [ 2.08155971, 0, 0 ], [ 2.08155971, 2.03669406, 2.08155971 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]

[ "Cr", "B", "B", "Hf", "Cl" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 2.6062477, 0, 0 ], [ 0, 4.887555, 0 ], [ 0, 0, 2.6062477 ] ]

-27.044594

[ 2.042, -0.004, -0.012, -0.181, -0.029 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.839792

3.910106

pbe

true

e680bd2e8587f355a42fd44f4eedeae6_123_Hf1Cr1B2Cl1

[ "Be", "Ge", "Pu", "Zn" ]

10

A4B3C2D

Be3Ge4Pu2Zn

Pu2 Be3 Zn1 Ge4

4

[ 1, 1, 1 ]

3

[ [ 4.09885031, 0, 0 ], [ 0, 4.09885031, 0 ], [ 0, 0, 9.74498288 ] ]

agm004511288

[ [ 2.049425155, 0, 2.3254713812085184 ], [ 0, 2.049425155, 7.419511498791481 ], [ 0, 0, 4.87249144 ], [ 2.049425155, 0, 8.538971766872066 ], [ 0, 2.049425155, 1.2060111131279345 ], [ 2.049425155, 2.049425155, 4.87249144 ], [ 2.049425155, 2.049425155, 0 ], [ 0, 0, 0 ], [ 2.049425155, 0, 6.285640057678467 ], [ 0, 2.049425155, 3.459342822321533 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Pu", "Pu", "Be", "Be", "Be", "Zn", "Ge", "Ge", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.3, 0.4, 0.2, 0.1 ]

[ [ 2.6174467, 0, 0 ], [ 0, 2.6174467, 0 ], [ 0, 0, 2.4662552 ] ]

-62.038518

[ 5.311, 5.311, 0.007, -0.015, -0.015, 0.005, -0.044, -0.044, -0.066, -0.066 ]

[ [ 0, 0, 0.00105911 ], [ 0, 0, -0.00105911 ], [ 0, 0, 0 ], [ 0, 0, 0.00199154 ], [ 0, 0, -0.00199154 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00191379 ], [ 0, 0, -0.00191379 ] ]

11.03358

18.991455

pbe

true

2cae08150a9f9e3e1878224e7bd47c24_115_Pu2Be3Zn1Ge4

[ "Ca", "Ge", "Li", "Nd" ]

7

A2B2C2D

CaGe2Li2Nd2

Li2 Ca1 Nd2 Ge2

4

[ 1, 1, 1 ]

3

[ [ 4.60022932, 0, 0 ], [ 2.30011466, 3.98391545, 0 ], [ 2.30011466, 1.32797182, 9.29046208 ] ]

agm004546545

[ [ 4.60022932, 2.65594363398247, 1.8092335972074176 ], [ 4.60022932, 2.65594363601753, 7.481228482792582 ], [ 0, 0, 0 ], [ 2.300116983115807, 1.327973159985696, 5.7623940545714305 ], [ 6.900341656884194, 3.9839141100143043, 3.5280680254285692 ], [ 6.900346280114661, 3.9839167805680593, 7.236088399352665 ], [ 2.30011235988534, 1.3279704894319406, 2.0543736806473345 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]

[ "Li", "Li", "Ca", "Nd", "Nd", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.2857142857142857, 0.2857142857142857, 0.2857142857142857 ]

[ [ 0.6963825, 0, 0 ], [ 0, 0.6963825, 0 ], [ 0, 0, 0.97984433 ] ]

-27.922801

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00185502 ], [ 0, 0, -0.00185502 ], [ 0, 0, 0 ], [ 0, 0, -0.00223809 ], [ 0, 0, 0.00223809 ], [ 0, 0, -0.01084281 ], [ 0, 0, 0.01084281 ] ]

0.000425

3.259247

pbe

true

2bdce8fa1cade40949b4e3d61d37eea0_166_Li2Ca1Nd2Ge2

[ "Ca", "O", "Rb", "Ru" ]

5

A2BCD

CaORbRu2

Rb1 Ca1 Ru2 O1

4

[ 1, 1, 1 ]

3

[ [ 4.8236286, 0, 0 ], [ 0, 7.96845213, 0 ], [ 0, 0, 4.8236286 ] ]

agm001584223

[ [ 0, 0, 2.4118143 ], [ 2.4118143, 0, 0 ], [ 0, 0, 0 ], [ 2.4118143, 3.984226065, 2.4118143 ], [ 0, 3.984226065, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]

[ "Ru", "Ru", "Ca", "O", "Rb" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -0.84418696, 0, 0 ], [ 0, 0.28742996, 0 ], [ 0, 0, -0.84418696 ] ]

-16.955769

[ 1.552, 1.949, -0.057, -0.359, -0.002 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.232086

19.487545

pbe

true

39c4742fb451799c250b7afb8e14fcc5_123_Rb1Ca1Ru2O1

[ "Ce", "Ho", "Nd", "Se" ]

9

A5B2CD

Ce2HoNdSe5

Ce2 Nd1 Ho1 Se5

4

[ 1, 1, 1 ]

3

[ [ 5.11206923, 0, 0 ], [ 0, 5.11206923, 0 ], [ 0, 0, 10.98504334 ] ]

agm005157602

[ [ 2.556034615, 2.556034615, 3.4051358253019957 ], [ 2.556034615, 2.556034615, 7.5799075146980055 ], [ 0, 0, 0 ], [ 0, 0, 5.49252167 ], [ 0, 2.556034615, 5.49252167 ], [ 2.556034615, 0, 5.49252167 ], [ 0, 0, 8.242310681219942 ], [ 0, 0, 2.742732658780059 ], [ 2.556034615, 2.556034615, 0 ] ]

[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Ce", "Ce", "Nd", "Ho", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.1111111111111111, 0.1111111111111111, 0.5555555555555556 ]

[ [ 0.84404427, 0, 0 ], [ 0, 0.84404427, 0 ], [ 0, 0, 0.7834311 ] ]

-50.542941

[ 1.362, 1.362, 0.043, 0.095, -0.012, -0.012, -0.012, -0.012, -0.007 ]

[ [ 0, 0, -0.00100205 ], [ 0, 0, 0.00100205 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00026244 ], [ 0, 0, -0.00026244 ], [ 0, 0, 0 ] ]

3.442497

18.905806

pbe

true

eab6659fa1af5f7a7aeb60e638e60bd3_123_Ce2Nd1Ho1Se5

[ "Cs", "Cu", "In", "O" ]

10

A2BCD

CsCuInO2

Cs2 In2 Cu2 O4

4

[ 1, 1, 1 ]

3

[ [ 5.08953288, 0, 0 ], [ 0, 6.4650263, 0 ], [ 0, -3.23251315, 6.67343082 ] ]

agm005006269

[ [ 1.133469305991965, 3.2325131500000004, 3.33671541 ], [ 3.956063574008035, 0, 3.33671541 ], [ 2.54476644, 4.848769725, 0 ], [ 2.54476644, 1.616256575, 0 ], [ 0, 0, 0 ], [ 0, 3.23251315, 0 ], [ 3.627058507965742, 3.2325163501880185, 5.485851963169758 ], [ 3.627058507965742, 3.2325099498119814, 1.1875788568302414 ], [ 1.4624743720342586, 0.000003200188018613411, 5.485851963169758 ], [ 1.4624743720342586, -0.0000032001880185236906, 1.1875788568302414 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "In", "In", "Cu", "Cu", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -0.17642349, 0, 0 ], [ 0, 0.20534097, 0 ], [ 0, 0, 0.3811923 ] ]

-44.248793

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00111845, 0, 0 ], [ 0.00111845, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00383886, 0, 0.00294762 ], [ -0.00383886, 0, -0.00294762 ], [ 0.00383886, 0, 0.00294762 ], [ 0.00383886, 0, -0.00294762 ] ]

0

1.579468

pbe

true

2700b64e2494ae63739a379f03c442e6_67_Cs2In2Cu2O4

[ "Dy", "Pr", "Se", "Th" ]

16

A8B4C3D

Dy3PrSe8Th4

Pr1 Dy3 Th4 Se8

4

[ 1, 1, 1 ]

3

[ [ 8.16420005, 0, 0 ], [ 0, 8.49189987, 0.22458175 ], [ -4.08210003, -4.07791886, 5.77668598 ] ]

agm004725544

[ [ 0, 4.245949935, 0.112290875 ], [ 4.082100025, 4.245949935, 0.112290875 ], [ 2.0410500099999997, 2.206990505, 3.0006338649999997 ], [ -2.041050015, 2.206990505, 3.0006338649999997 ], [ 4.082100025, 0, 0 ], [ 2.0410500099999997, -2.03895943, 2.88834299 ], [ 0, 0, 0 ], [ -2.041050015, -2.03895943, 2.88834299 ], [ -1.996392496308218, 2.2435496972082123, 5.879977329405301 ], [ -2.501011454934888e-9, 4.2376156484632626, 3.055526935312281 ], [ -2.552524607734284e-9, 0.17466581759218683, 3.008701895531815 ], [ 1.9963924864167903, 2.2435496972082123, 5.879977329405301 ], [ 2.08570753358321, 2.1704313127917874, 0.1212904005946998 ], [ 4.082100022552523, 4.239315192407814, 2.9925658344681842 ], [ 4.0821000225010105, 0.1763653615367366, 2.9457407946877194 ], [ 6.078492516308217, 2.1704313127917874, 0.1212904005946998 ] ]

[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]

[ "Pr", "Dy", "Dy", "Dy", "Th", "Th", "Th", "Th", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.1875, 0.0625, 0.5, 0.25 ]

[ [ 0.25396428, 0, 0 ], [ 0, 0.34435537, 0.06378597 ], [ 0, 0.06378597, 0.29904366 ] ]

-102.52989

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00134578, 0.00305615, 0.00120633 ], [ 0, 0.00171175, 0.00311078 ], [ 0, -0.00144504, -0.00102014 ], [ -0.00134578, 0.00305615, 0.00120633 ], [ 0.00134578, -0.00305615, -0.00120633 ], [ 0, 0.00144504, 0.00102014 ], [ 0, -0.00171175, -0.00311078 ], [ -0.00134578, -0.00305615, -0.00120633 ] ]

0.000005

5.327125

pbe

true

858697fbb29455a98ecf947c3d78adfd_166_Pr1Dy3Th4Se8

[ "F", "K", "N", "Rh" ]

5

A2BCD

F2KNRh

K1 Rh1 N1 F2

4

[ 1, 1, 1 ]

3

[ [ 4.76375126, 0, 0 ], [ 0, 4.76375126, 0 ], [ 0, 0, 4.91237532 ] ]

agm001695982

[ [ 0, 0, 0 ], [ 0, 0, 2.45618766 ], [ 2.38187563, 2.38187563, 2.45618766 ], [ 0, 2.38187563, 0 ], [ 2.38187563, 0, 0 ] ]

[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "K", "N", "Rh", "F", "F" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 1.3644993, 0, 0 ], [ 0, 1.3644993, 0 ], [ 0, 0, 1.5185552 ] ]

-17.14778

[ 0.045, 1.767, 1.927, 0.117, 0.117 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

5.000199

3.595851

pbe

true

dda522b4263755d30f9ab3953984565b_123_K1Rh1N1F2

[ "Fe", "Os", "Si", "U" ]

20

A6B2CD

FeOsSi6U2

U4 Fe2 Si12 Os2

4

[ 1, 1, 1 ]

3

[ [ 5.78319249, 0, 0 ], [ 2.89159624, 5.00839161, 0 ], [ 2.89159625, 1.66946387, 11.84210516 ] ]

agm004966166

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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]

[ "U", "U", "U", "U", "Fe", "Fe", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Os", "Os" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.2 ]

[ [ 1.7651061, 0, 0 ], [ 0, 1.7651061, 0 ], [ 0, 0, 1.6093683 ] ]

-153.930972

[ 2.062, 2.062, 2.429, 2.429, -0.4, 0.724, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002, 0.091, 0.091 ]

[ [ 0, 0, -0.00098545 ], [ 0, 0, 0.00098545 ], [ 0, 0, -0.00144198 ], [ 0, 0, 0.00144198 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00279442, 0.00161336, 0.00176988 ], [ 0, -0.00322672, 0.00176988 ], [ 0.00279442, 0.00161336, 0.00176988 ], [ 0.00279442, -0.00161336, -0.00176988 ], [ 0, 0.00322672, -0.00176988 ], [ -0.00279442, -0.00161336, -0.00176988 ], [ 0.00258742, -0.00149385, 0.0002719 ], [ 0, 0.00298769, 0.0002719 ], [ -0.00258742, -0.00149385, 0.0002719 ], [ -0.00258742, 0.00149385, -0.0002719 ], [ 0, -0.00298769, -0.0002719 ], [ 0.00258742, 0.00149385, -0.0002719 ], [ 0, 0, 0.00731406 ], [ 0, 0, -0.00731406 ] ]

10.674181

19.692953

pbe

true

40758246de2c0161f714267972c66ab6_166_U4Fe2Si12Os2

[ "Ga", "Mg", "Zn" ]

14

A3B3C

Ga3MgZn3

Mg2 Zn6 Ga6

3

[ 1, 1, 1 ]

3

[ [ 7.04986993, 0, 0 ], [ 0, 7.04986993, 0 ], [ 0, 0, 7.04986993 ] ]

agm005403063

[ [ 1.7624674825, 0, 3.524934965 ], [ 0, 3.524934965, 1.7624674825 ], [ 3.524934965, 5.2874024475, 0 ], [ 5.2874024475, 0, 3.524934965 ], [ 0, 3.524934965, 5.2874024475 ], [ 3.524934965, 1.7624674825, 0 ], [ 3.524934965, 3.524934965, 3.524934965 ], [ 0, 0, 0 ], [ 0, 1.7624674825, 3.524934965 ], [ 0, 5.2874024475, 3.524934965 ], [ 3.524934965, 0, 5.2874024475 ], [ 5.2874024475, 3.524934965, 0 ], [ 3.524934965, 0, 1.7624674825 ], [ 1.7624674825, 3.524934965, 0 ] ]

[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Mg", "Mg", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.42857142857142855, 0.14285714285714285, 0.42857142857142855 ]

[ [ 3.1611505, 0, 0 ], [ 0, 3.1611505, 0 ], [ 0, 0, 3.1611505 ] ]

-23.556875

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

5.801586

pbe

true

b6a6d0af46963475550de9701770144b_223_Mg2Zn6Ga6

[ "Hg", "Ni", "Tc" ]

6

A4BC

HgNiTc4

Tc4 Ni1 Hg1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.63871173, 3.63871173 ], [ 3.63871173, 0, 3.63871173 ], [ 3.63871173, 3.63871173, 0 ] ]

agm005476428

[ [ 2.7237821176343253, 4.553641342365674, 4.553641342365674 ], [ 4.553641342365674, 4.553641342365674, 2.7237821176343253 ], [ 4.553641342365674, 2.7237821176343253, 4.553641342365674 ], [ 2.7237821176343253, 2.7237821176343253, 2.7237821176343253 ], [ 0, 0, 0 ], [ 5.458067594999999, 5.458067594999999, 5.458067594999999 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Tc", "Tc", "Tc", "Tc", "Ni", "Hg" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ -1.652775, 0, 0 ], [ 0, -1.652775, 0 ], [ 0, 0, -1.652775 ] ]

-43.69154

[ 0.056, 0.056, 0.056, 0.056, 0.219, 0.004 ]

[ [ 0.00089448, -0.00089448, -0.00089448 ], [ -0.00089448, -0.00089448, 0.00089448 ], [ -0.00089448, 0.00089448, -0.00089448 ], [ 0.00089448, 0.00089448, 0.00089448 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.454606

9.638158

pbe

true

dbe8b553f131462d6561c83d219be109_216_Tc4Ni1Hg1

[ "Nb", "Pt", "Sr" ]

8

A2BC

NbPt2Sr

Sr2 Nb2 Pt4

3

[ 1, 1, 1 ]

3

[ [ 7.53273178, 0, 0 ], [ 0, 7.53273178, 0 ], [ 3.76636589, 3.76636589, 3.56110876 ] ]

agm002895204

[ [ 3.76636589, 3.76636589, 0 ], [ 3.76636589, 7.53273178, 1.78055438 ], [ 0, 0, 0 ], [ 7.53273178, 3.76636589, 1.78055438 ], [ 6.145234976870654, 1.883182945, 0.89027719 ], [ 1.387496803129346, 5.649548835, 0.89027719 ], [ 5.649548835, 5.153862693129346, 2.6708315700000003 ], [ 9.415914725, 9.911600866870653, 2.6708315700000003 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Sr", "Sr", "Nb", "Nb", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 3.189019, 0, 0 ], [ 0, 3.189019, 0 ], [ 0, 0, 5.040171 ] ]

-48.462982

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00396399, 0, 0 ], [ -0.00396399, 0, 0 ], [ 0, -0.00396399, 0 ], [ 0, 0.00396399, 0 ] ]

0.000009

10.120383

pbe

true

727b9fe58e7f625fc41dd0139c5e86d9_122_Sr2Nb2Pt4

[ "Pb", "Tm", "Zn" ]

4

A2BC

PbTmZn2

Tm1 Zn2 Pb1

3

[ 1, 1, 1 ]

3

[ [ 4.41289753, 0, 0 ], [ 0, 4.39418831, 0 ], [ 0, 0, 4.39418831 ] ]

agm001232124

[ [ 2.206448765, 0, 0 ], [ 0, 0, 2.197094155 ], [ 0, 2.197094155, 0 ], [ 2.206448765, 2.197094155, 2.197094155 ] ]

[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Pb", "Zn", "Zn", "Tm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.4892359, 0, 0 ], [ 0, 3.403642, 0 ], [ 0, 0, 3.403642 ] ]

-11.646306

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000012

2.236797

pbe

true

2732ab47277fc6573e3447c369094851_123_Tm1Zn2Pb1

[ "Rb", "Re", "Zr" ]

5

A3BC

Rb3ReZr

Rb3 Zr1 Re1

3

[ 1, 1, 1 ]

3

[ [ 6.9241901, 0, 0 ], [ 0, 6.9241901, 0 ], [ 0, 0, 6.9241901 ] ]

agm002575665

[ [ 3.46209505, 3.46209505, 3.46209505 ], [ 0, 3.46209505, 0 ], [ 0, 0, 3.46209505 ], [ 3.46209505, 0, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Re", "Rb", "Rb", "Rb", "Zr" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 1.4963682, 0, 0 ], [ 0, 1.4963682, 0 ], [ 0, 0, 1.4963682 ] ]

-12.193922

[ 3.842, 0.053, 0.057, 0.05, 1.935 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

9.324657

11.003305

pbe

true

6b549c25ac61082099dc654c105d7480_221_Rb3Zr1Re1

[ "Ac", "N", "Sr", "U" ]

16

A8B4C3D

Ac3N8Sr4U

Sr4 Ac3 U1 N8

4

[ 1, 1, 1 ]

3

[ [ 7.58888478, 0, 0 ], [ 0, 7.53738702, -0.04529383 ], [ -3.79444239, -3.79614767, 5.39429205 ] ]

agm004737148

[ [ 3.79444239, 0, 0 ], [ 1.897221195, -1.898073835, 2.697146025 ], [ 0, 0, 0 ], [ -1.897221195, -1.898073835, 2.697146025 ], [ 3.79444239, 3.76869351, -0.022646915 ], [ 1.897221195, 1.870619675, 2.6744991099999997 ], [ -1.897221195, 1.870619675, 2.6744991099999997 ], [ 0, 3.76869351, -0.022646915 ], [ -2.223803197788139, 1.481707804434165, 5.336962074400787 ], [ 4.296884896474751e-17, 3.690658665796227, 2.60293365843664 ], [ -3.794442415836085e-8, 0.08549610417313705, 2.7526492934571793 ], [ 2.2238032736769866, 1.481707804434165, 5.336962074400787 ], [ 1.5706391163230133, 2.2595315455658342, 0.012036145599212998 ], [ 3.794442427944424, 3.655743245826862, 2.5963489265428206 ], [ 3.794442390000001, 0.050580684203773235, 2.74606456156336 ], [ 6.0182455877881385, 2.2595315455658342, 0.012036145599212998 ] ]

[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Sr", "Sr", "Sr", "Sr", "Ac", "Ac", "Ac", "U", "N", "N", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.1875, 0.5, 0.25, 0.0625 ]

[ [ 0.26587635, 0, 0 ], [ 0, 0.3108898, 0.02881922 ], [ 0, 0.02881836, 0.30747974 ] ]

-111.889019

[ 0, 0.008, 0.001, 0.008, 0.006, 0.024, 0.024, -0.026, 0.009, 0.096, 0.17, 0.009, 0.009, 0.17, 0.096, 0.009 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00242454, -0.00003209, -0.00003766 ], [ 0, 0.00118841, 0.00060998 ], [ 0, -0.00321458, 0.0009178 ], [ 0.00242454, -0.00003209, -0.00003766 ], [ -0.00242454, 0.00003209, 0.00003766 ], [ 0, 0.00321458, -0.0009178 ], [ 0, -0.00118841, -0.00060998 ], [ 0.00242454, 0.00003209, 0.00003766 ] ]

0.894453

10.373615

pbe

true

416f09c6907e93b84c4ed1a10425dd0f_12_Sr4Ac3U1N8

[ "Al", "Hf", "Ho", "Tc" ]

4

ABCD

AlHfHoTc

Ho1 Hf1 Al1 Tc1

4

[ 1, 1, 1 ]

3

[ [ 4.80635142, 0, 0 ], [ 2.40317571, 4.16242243, 0 ], [ 2.40317571, 1.38747414, 3.9243695 ] ]

agm001406394

[ [ 7.209527130000001, 4.1624224275, 2.943277125 ], [ 0, 0, 0 ], [ 4.80635142, 2.7749482850000002, 1.96218475 ], [ 2.40317571, 1.3874741425000001, 0.981092375 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]

[ "Al", "Hf", "Ho", "Tc" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.9861689, 0, 0 ], [ 0, 2.9861689, 0 ], [ 0, 0, 2.9861689 ] ]

-29.669575

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.996986

pbe

true

7019f5a2c12160083662fc9260c38aea_216_Ho1Hf1Al1Tc1

[ "Cl", "Ge", "N", "P" ]

5

A2BCD

ClGeNP2

Ge1 P2 N1 Cl1

4

[ 1, 1, 1 ]

3

[ [ 3.80954304, 0, 0 ], [ 0, 3.80954304, 0 ], [ 0, 0, 6.10551403 ] ]

agm001757955

[ [ 0, 1.90477152, 0 ], [ 1.90477152, 0, 0 ], [ 1.90477152, 1.90477152, 3.052757015 ], [ 0, 0, 0 ], [ 0, 0, 3.052757015 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "P", "Ge", "N", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.34100762, 0, 0 ], [ 0, 0.34100762, 0 ], [ 0, 0, 0.52915967 ] ]

-21.554002

[ 0.015, 0.015, 0, 0.066, 0.003 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.157429

4.281239

pbe

true

8a2b0f6416d2c27e7a8a4ca6dc16d48a_123_Ge1P2N1Cl1

[ "Cs", "K", "Rb", "Se" ]

5

A2BCD

CsKRb2Se

Cs1 K1 Rb2 Se1

4

[ 1, 1, 1 ]

3

[ [ 6.95838, 0, 0 ], [ 0, 6.95838, 0 ], [ 0, 0, 6.64540304 ] ]

agm001613048

[ [ 3.47919, 3.47919, 3.32270152 ], [ 0, 0, 3.32270152 ], [ 0, 0, 0 ], [ 0, 3.47919, 0 ], [ 3.47919, 0, 0 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "K", "Se", "Rb", "Rb" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.33076292, 0, 0 ], [ 0, 0.33076292, 0 ], [ 0, 0, 0.3292966 ] ]

-10.015711

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000001

1.919207

pbe

true

88017bb20827b83620db19bb1fc601d3_123_Cs1K1Rb2Se1

[ "Dy", "Pr", "Te", "Tm" ]

12

A6B3C2D

Dy3Pr2Te6Tm

Pr2 Dy3 Tm1 Te6

4

[ 1, 1, 1 ]

3

[ [ 4.362162, 0, 0 ], [ 0, 8.8652293, 0.36701665 ], [ -2.181081, -2.50938983, 9.28938356 ] ]

agm004617013

[ [ 2.18108097818919, 4.230214825647395, 6.3372080618479245 ], [ 2.1810809980829684e-8, 2.125624644352604, 3.3191921481520748 ], [ 2.181081, 4.43261465, 0.183508325 ], [ 2.18108097818919, -0.1717143327904095, 6.08316455618091 ], [ 2.181080996726588e-8, 6.5275538027904085, 3.573235653819088 ], [ 2.181081, 0, 0 ], [ 6.615613070067639e-17, 6.540707266896954, 6.642800401372401 ], [ 2.1810788407298096, 4.427655447877369, 3.197367694936847 ], [ 2.1810810000000003, -0.1848677968969548, 3.0135998086275984 ], [ 2.1810831810809996, -0.32432491174426326, 9.294251873800981 ], [ -0.000002181080999998423, 6.680164381744262, 0.362148336199019 ], [ 0.000002159270190117038, 1.9281840221226307, 6.459032515063152 ] ]

[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Pr", "Pr", "Dy", "Dy", "Dy", "Tm", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.16666666666666666, 0.5, 0.08333333333333333 ]

[ [ 0.74828404, 0, 0 ], [ 0, 0.7673456, -0.10094294 ], [ 0, -0.10094292, 0.7737078 ] ]

-62.488174

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.001813, -0.00447616 ], [ 0, 0.001813, 0.00447616 ], [ 0, 0, 0 ], [ 0, -0.00204759, 0.00063812 ], [ 0, 0.00204759, -0.00063812 ], [ 0, 0, 0 ], [ 0, 0.00239843, -0.00155029 ], [ 0, 0.00535623, -0.00159646 ], [ 0, -0.00239843, 0.00155029 ], [ 0, 0.00081184, 0.00067919 ], [ 0, -0.00081184, -0.00067919 ], [ 0, -0.00535623, 0.00159646 ] ]

0.000013

6.759793

pbe

true

3cc92b8b2882f51e1dff9f9c1d247083_12_Pr2Dy3Tm1Te6

[ "F", "In", "Pt", "Re" ]

5

A2BCD

FIn2PtRe

In2 Re1 Pt1 F1

4

[ 1, 1, 1 ]

3

[ [ 4.71904218, 0, 0 ], [ 0, 4.04224276, 0 ], [ 0, 0, 4.71904218 ] ]

agm001487528

[ [ 0, 2.02112138, 0 ], [ 0, 0, 0 ], [ 2.35952109, 2.02112138, 2.35952109 ], [ 0, 0, 2.35952109 ], [ 2.35952109, 0, 0 ] ]

[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]

[ "Re", "F", "Pt", "In", "In" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.38282382, 0, 0 ], [ 0, 0.5914722, 0 ], [ 0, 0, 0.38282382 ] ]

-23.741226

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.935292

pbe

true

48d4db372a55893d3a5543b86b94e94e_123_In2Re1Pt1F1

[ "Ho", "Pa", "Pm", "Sb" ]

8

A4B2CD

HoPaPm2Sb4

Pm2 Ho1 Pa1 Sb4

4

[ 1, 1, 1 ]

3

[ [ 4.42514888, 0, 0 ], [ 0, 7.65146109, 0.13279479 ], [ 0, -2.67291081, 7.20631146 ] ]

agm004844075

[ [ 2.21257444, -1.336455405, 3.60315573 ], [ 0, 2.48927514, 3.669553125 ], [ 2.21257444, 3.825730545, 0.066397395 ], [ 0, 0, 0 ], [ 2.21257444, 1.2479425841041403, 1.7765773261854445 ], [ 2.21257444, 3.730607695895859, 5.562528923814556 ], [ 0, -0.10064737977186927, 5.504886771837822 ], [ 0, 5.07919765977187, 1.834219478162178 ] ]

[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Pm", "Pm", "Ho", "Pa", "Sb", "Sb", "Sb", "Sb" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.25, 0.5 ]

[ [ 0.6592369, 0, 0 ], [ 0, 0.6216843, -0.0117249 ], [ 0, -0.01172489, 0.6084614 ] ]

-47.939877

[ 0.01, 0.021, 0.002, 0.667, -0.012, -0.012, -0.007, -0.007 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00063238, 0.00002431 ], [ 0, 0.00063238, -0.00002431 ], [ 0, 0.00089804, 0.00041222 ], [ 0, -0.00089804, -0.00041222 ] ]

0.790195

6.492735

pbe

true

e150598248b35cab22eded74e8bbc06d_10_Pm2Ho1Pa1Sb4

[ "I", "K", "Mn", "Tm" ]

18

A6BCD

I6KMnTm

K2 Tm2 Mn2 I12

4

[ 1, 1, 1 ]

3

[ [ 7.41591088, 0, 0 ], [ -3.70795544, 6.42236721, 0 ], [ 0, 0, 15.82937794 ] ]

agm005091644

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[ "K", "K", "Tm", "Tm", "Mn", "Mn", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

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5

A2BCD

IMnWZn2

Mn1 Zn2 W1 I1

4

[ 1, 1, 1 ]

3

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agm001549007

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[ "I", "Zn", "Zn", "Mn", "W" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

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1.208841

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pbe

true

642ef8f4804f704411ff9c61deab9e58_123_Mn1Zn2W1I1

[ "Ba", "H" ]

4

AB

BaH

Ba2 H2

2

[ 1, 1, 1 ]

3

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agm002073484

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[ "Ba", "Ba", "H", "H" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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pbe

true

db4508563e53d087b669a7b2ccd4fd4c_1_Ba2H2

[ "Pb", "Pm" ]

7

A6B

Pb6Pm

Pm1 Pb6

2

[ 1, 1, 1 ]

3

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agm005406276

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[ "Pm", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

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0.770512

7.627776

pbe

true

1cd620922417b11aa1cfca3c6d033ba7_229_Pm1Pb6

[ "Ga", "Y" ]

16

AB

GaY

Y8 Ga8

2

[ 1, 1, 1 ]

3

[ [ 10.2386, 0, 0 ], [ 0, 10.2386, 0 ], [ 0, 0, 3.62232 ] ]

agm004443512

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[ "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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16.278976

pbe

true

a3e041e37439dbe98e1411025b979230_139_Y8Ga8

[ "Ag", "P", "Sr" ]

6

A4BC

AgP4Sr

Sr1 Ag1 P4

3

[ 1, 1, 1 ]

3

[ [ 0, 3.93724173, 3.93724173 ], [ 3.93724173, 0, 3.93724173 ], [ 3.93724173, 3.93724173, 0 ] ]

agm005449298

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[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Sr", "Ag", "P", "P", "P", "P" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

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-25.96508

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0.000003

1.846582

pbe

true

627ed6331ccd81a339f0442e860481c2_216_Sr1Ag1P4

[ "Ag", "Sc", "Si" ]

6

ABC

AgScSi

Sc2 Si2 Ag2

3

[ 1, 1, 1 ]

3

[ [ 4.3717308, -0.00145459, -0.00024078 ], [ 2.18709588, 6.97569989, 0.00252334 ], [ -2.1862881, 0.68415157, 3.72441768 ] ]

agm003146707

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[ "Sc", "Sc", "Si", "Si", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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0.837647

pbe

true

51704e177ec2b6b9e69da1e4b78d8ecb_160_Sc2Si2Ag2

[ "Bi", "Dy", "Rh" ]

14

A4B2C

Bi2Dy4Rh

Dy8 Bi4 Rh2

3

[ 1, 1, 1 ]

3

[ [ 6.84976721, 0, -1.03720593 ], [ 0, 6.60647395, 0 ], [ -3.81807779, 0, 9.25390139 ] ]

agm003444518

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[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Bi", "Bi", "Bi", "Bi", "Rh", "Rh" ]

2023-11-16 06:57:59

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10.315805

pbe

true

a7de27b38b3d65f66e9089ee154c0f60_11_Dy8Bi4Rh2

[ "Br", "Dy", "F" ]

6

ABC

BrDyF

Dy2 Br2 F2

3

[ 1, 1, 1 ]

3

[ [ 4.38094632, 0, 0 ], [ 0, 4.18608564, 0 ], [ 0, 0, 21.88619199 ] ]

agm2000136073

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[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]

[ "F", "F", "Br", "Br", "Dy", "Dy" ]

2023-11-16 06:57:59

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-0

1.923799

pbe

true

cf6528ad43569d763ea88a54889f0c96_59_Dy2Br2F2

[ "Br", "In", "S" ]

12

ABC

BrInS

In4 S4 Br4

3

[ 1, 1, 1 ]

3

[ [ 7.50443379, 0, 0 ], [ 0, 7.91055673, -0.15926907 ], [ 0, -3.36843515, 6.19374094 ] ]

agm001008264

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[ "S", "S", "S", "S", "In", "In", "In", "In", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

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65ee49b1825171ccc74b44c45f209914_14_In4S4Br4

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A2BC

CoIn2Mn

Mn1 In2 Co1

3

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3

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2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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2.739228

pbe

true

4ce823dd606b8c48aa9848444575b771_160_Mn1In2Co1

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A12B5C3

Dy3La5Li12

Li48 La20 Dy12

3

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2023-11-16 06:57:59

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20.687143

111.91988

pbe

true

d75fc73bd4f8aaa588bf37d401d1f78a_230_Li48La20Dy12

[ "H", "N", "Pt" ]

6

ABC

HNPt

H2 Pt2 N2

3

[ 1, 1, 1 ]

3

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agm001011114

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[ "H", "H", "Pt", "Pt", "N", "N" ]

2023-11-16 06:57:59

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0

0.703412

pbe

true

d0f587de3e6912cc079259cac3b317cd_2_H2Pt2N2

[ "Mg", "Sm", "Tb" ]

4

A2BC

MgSmTb2

Tb2 Sm1 Mg1

3

[ 1, 1, 1 ]

3

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agm001214718

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[ "Mg", "Tb", "Tb", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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pbe

true

95fda7189efd6e6bb04667cf336b3ebc_123_Tb2Sm1Mg1

[ "Mg", "Pa", "Pb" ]

7

A4B2C

Mg2PaPb4

Mg2 Pa1 Pb4

3

[ 1, 1, 1 ]

3

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agm005993495

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[ "Mg", "Mg", "Pa", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

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0.655533

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pbe

true

b8dfb1d8199f5febc92c9fbd01ffbf85_65_Mg2Pa1Pb4

[ "Np", "P", "Ru" ]

11

A6B4C

NpP4Ru6

Np1 P4 Ru6

3

[ 1, 1, 1 ]

3

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agm006098721

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[ "Np", "P", "P", "P", "P", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru" ]

2023-11-16 06:57:59

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-97.306805

[ 3.232, -0.012, -0.012, -0.012, 0.01, -0.037, -0.153, -0.037, -0.037, -0.153, -0.153 ]

[ [ 0, 0, 0 ], [ 0, -0.00364265, -0.00630926 ], [ 0, 0.0072853, 0 ], [ 0, -0.00364265, 0.00630926 ], [ 0, 0, 0 ], [ 0, -0.00164084, -0.00284202 ], [ 0, -0.00644587, 0 ], [ 0, -0.00164084, 0.00284202 ], [ 0, 0.00328168, 0 ], [ 0, 0.00322293, -0.00558229 ], [ 0, 0.00322294, 0.00558229 ] ]

2.73774

9.899658

pbe

true

a033aacf350444b8368fbe90167eb0ff_187_Np1P4Ru6

[ "P", "Ru", "Zn" ]

4

A2BC

PRu2Zn

Zn1 P1 Ru2

3

[ 1, 1, 1 ]

3

[ [ 3.59421049, 0, 0 ], [ 0, 2.93106538, -0.00534493 ], [ 0, 1.38079, 5.26152051 ] ]

agm004434404

[ [ 1.797105245, 1.46553269, -0.002672465 ], [ 1.797105245, 2.15592769, 2.6280877900000004 ], [ 0, 1.4355997498752684, 3.8216726738160296 ], [ 0, 2.876255630124732, 1.434502906183971 ] ]

[{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Zn", "P", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.801199, 0, 0 ], [ 0, 4.8579817, -0.26222432 ], [ 0, -0.26222467, 5.23251 ] ]

-26.014939

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00291129, 0.0006097 ], [ 0, -0.00291129, -0.0006097 ] ]

0.000007

2.123766

pbe

true

a38f1a8d097f84b980f2e81c471de573_10_Zn1P1Ru2

[ "Pt", "Sn", "Th" ]

8

A3B3C2

Pt2Sn3Th3

Th3 Sn3 Pt2

3

[ 1, 1, 1 ]

3

[ [ 4.50841903, -0.00209566, 0.00180365 ], [ -0.00012686, 5.58959368, -0.20092532 ], [ -2.25314128, -1.93971037, 8.36681563 ] ]

agm002320587

[ [ 2.2550600401891203, 3.5858631597172406, 4.326247121276807 ], [ 0.00009084981088010419, 0.0619244902827595, 3.841446838723192 ], [ 2.2547948686096935, 0.9960758251123155, 5.587142828287525 ], [ 0.0003560213903061871, 2.651711824887685, 2.5805511317124754 ], [ 0, 0, 0 ], [ -0.0006400494117704458, 3.914818633810196, 5.901774423328797 ], [ 2.254146085, 2.79374901, -0.099560835 ], [ 2.25579093941177, -0.2670309838101963, 2.2659195366712033 ] ]

[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Pt", "Pt", "Th", "Th", "Th", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.25, 0.375, 0.375 ]

[ [ 3.46139, -0.00692121, -0.00572053 ], [ -0.00692178, 3.4657178, -0.03564199 ], [ -0.00572026, -0.03564152, 3.4779189 ] ]

-52.565117

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00014662, 0.00264774, -0.00419929 ], [ -0.00014662, -0.00264774, 0.00419929 ], [ -0.00033135, -0.00101416, -0.00671778 ], [ 0.00033135, 0.00101416, 0.00671778 ], [ 0, 0, 0 ], [ -0.00062647, 0.00020978, -0.00474132 ], [ 0, 0, 0 ], [ 0.00062647, -0.00020978, 0.00474132 ] ]

-0.000003

5.607864

pbe

true

0c41e335b840d701d5b6b62811dd9aba_12_Th3Sn3Pt2

[ "Tb", "Th", "Y" ]

16

A12B3C

Tb3ThY12

Tb3 Y12 Th1

3

[ 1, 1, 1 ]

3

[ [ 5.05582745, 0, 0 ], [ 0, 5.05582745, 0 ], [ 0, 0, 20.19941363 ] ]

agm005883144

[ [ 0, 0, 5.042712914781794 ], [ 0, 0, 10.099706815 ], [ 0, 0, 15.156700715218204 ], [ 2.527913725, 2.527913725, 0 ], [ 2.527913725, 2.527913725, 5.067046744393584 ], [ 2.527913725, 2.527913725, 10.099706815 ], [ 2.527913725, 2.527913725, 15.132366885606416 ], [ 2.527913725, 0, 2.497434493823025 ], [ 2.527913725, 0, 7.569330915435034 ], [ 2.527913725, 0, 12.630082714564963 ], [ 2.527913725, 0, 17.701979136176973 ], [ 0, 2.527913725, 2.497434493823025 ], [ 0, 2.527913725, 7.569330915435034 ], [ 0, 2.527913725, 12.630082714564963 ], [ 0, 2.527913725, 17.701979136176973 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Tb", "Tb", "Tb", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Th" ]

2023-11-16 06:57:59

[ 0.1875, 0.0625, 0.75 ]

[ [ 1.1643907, 0, 0 ], [ 0, 1.1643907, 0 ], [ 0, 0, 1.0433518 ] ]

-98.42617

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00098298 ], [ 0, 0, 0 ], [ 0, 0, -0.00098298 ], [ 0, 0, 0 ], [ 0, 0, -0.00439025 ], [ 0, 0, 0 ], [ 0, 0, 0.00439025 ], [ 0, 0, -0.00202198 ], [ 0, 0, 0.00726389 ], [ 0, 0, -0.00726389 ], [ 0, 0, 0.00202198 ], [ 0, 0, -0.00202198 ], [ 0, 0, 0.00726389 ], [ 0, 0, -0.00726389 ], [ 0, 0, 0.00202198 ], [ 0, 0, 0 ] ]

-0.000374

23.946148

pbe

true

8ad9fe28bf1618be6149e64af7580623_123_Tb3Y12Th1

[ "Sr", "W", "Zn" ]

4

A2BC

SrWZn2

Sr1 Zn2 W1

3

[ 1, 1, 1 ]

3

[ [ 10.0679299, -0.00623387, -0.00365336 ], [ 9.62104788, 2.96625843, -0.00365336 ], [ 9.62104788, 1.44642034, 2.58970473 ] ]

agm004386557

[ [ 7.327506415, 1.101611225, 0.6455995025 ], [ 21.982519245, 3.304833675, 1.9367985074999998 ], [ 0.29921696585498536, 0.04498402998618099, 0.026362900740706897 ], [ 14.355795864145014, 2.1582384200138187, 1.264836104259293 ] ]

[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Sr", "W", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.8924258, 0.04101967, 0.02403959 ], [ 0.04101967, 2.625745, 0.00361409 ], [ 0.02403959, 0.00361409, 2.6216962 ] ]

-14.505763

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00905093, 0.00136071, 0.00079744 ], [ -0.00905093, -0.00136071, -0.00079744 ] ]

0.000008

2.346148

pbe

true

009a31dc4a9ccb6f0341dc6c14fe2f18_166_Sr1Zn2W1

[ "Ac", "Ge", "Nd", "Pb" ]

4

ABCD

AcGeNdPb

Ac1 Nd1 Ge1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 5.58470418, 0, 0 ], [ 2.79235209, 4.83649569, 0 ], [ 2.79235209, 1.61216523, 4.55989187 ] ]

agm001290392

[ [ 0, 0, 0 ], [ 2.79235209, 1.61216523, 1.1399729675 ], [ 8.37705627, 4.83649569, 3.4199189025 ], [ 5.58470418, 3.22433046, 2.279945935 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]

[ "Pb", "Ac", "Nd", "Ge" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.6129063, 0, 0 ], [ 0, 1.6129063, 0 ], [ 0, 0, 1.6129063 ] ]

-18.91256

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000707

5.254206

pbe

true

ef0cc6a86c831255ff21398ee2fb6db6_216_Ac1Nd1Ge1Pb1

[ "Eu", "Pm", "Sm", "Th" ]

4

ABCD

EuPmSmTh

Pm1 Sm1 Eu1 Th1

4

[ 1, 1, 1 ]

3

[ [ 5.81711798, 0, 0 ], [ 2.90855899, 5.03777194, 0 ], [ 2.90855899, 1.67925731, 4.74965694 ] ]

agm001412028

[ [ 8.72567697, 5.0377719375, 3.562242705 ], [ 5.81711798, 3.3585146249999998, 2.37482847 ], [ 2.90855899, 1.6792573124999999, 1.187414235 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Eu", "Sm", "Th", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.2684792, 0, 0 ], [ 0, 1.2684792, 0 ], [ 0, 0, 1.2684792 ] ]

-26.267843

[ 6.849, -0.061, -0.226, -0.059 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

6.493201

8.992321

pbe

true

02fa38e98f66e34403471f6bea755f4b_216_Pm1Sm1Eu1Th1

[ "H", "I", "N", "O" ]

5

A2BCD

HINO2

H1 I1 N1 O2

4

[ 1, 1, 1 ]

3

[ [ 3.1127539, 0, 0 ], [ 0, 3.1127539, 0 ], [ 0, 0, 6.2309723 ] ]

agm001745786

[ [ 0, 0, 3.11548615 ], [ 0, 0, 0 ], [ 0, 1.55637695, 0 ], [ 1.55637695, 0, 0 ], [ 1.55637695, 1.55637695, 3.11548615 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "I", "H", "O", "O", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.5323009, 0, 0 ], [ 0, 0.5323009, 0 ], [ 0, 0, 2.0923283 ] ]

-15.828564

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000041

3.703357

pbe

true

30ef1d08390a5d2d399290e7937337d8_123_H1I1N1O2

[ "H", "Pd", "Ti", "V" ]

5

A2BCD

HPdTi2V

Ti2 V1 H1 Pd1

4

[ 1, 1, 1 ]

3

[ [ 4.27359874, 0, 0 ], [ 0, 4.27359874, 0 ], [ 0, 0, 3.46737689 ] ]

agm001617092

[ [ 0, 0, 0 ], [ 0, 2.13679937, 0 ], [ 2.13679937, 0, 0 ], [ 2.13679937, 2.13679937, 1.733688445 ], [ 0, 0, 1.733688445 ] ]

[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "H", "Ti", "Ti", "Pd", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 8.179649, 0, 0 ], [ 0, 8.179649, 0 ], [ 0, 0, 6.1084037 ] ]

-34.922564

[ 0, 0, 0, 0.001, 0.018 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.02085

5.175759

pbe

true

c9cd6cb134dd7522cbc89b6af9f1f3ce_123_Ti2V1H1Pd1

[ "I", "O", "Pd", "Ti" ]

5

A2BCD

IO2PdTi

Ti1 Pd1 I1 O2

4

[ 1, 1, 1 ]

3

[ [ 4.07023592, 0, 0 ], [ 0, 4.07023592, 0 ], [ 0, 0, 5.21350177 ] ]

agm001747775

[ [ 0, 0, 2.606750885 ], [ 0, 2.03511796, 0 ], [ 2.03511796, 0, 0 ], [ 0, 0, 0 ], [ 2.03511796, 2.03511796, 2.606750885 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "I", "O", "O", "Pd", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ -0.02700795, 0, 0 ], [ 0, -0.02700795, 0 ], [ 0, 0, 0.13611563 ] ]

-23.403583

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000637

6.385604

pbe

true

a74520a17ae42c8ff09c478ee195eb06_123_Ti1Pd1I1O2

[ "K", "Pt", "Rh", "S" ]

16

A8B4C3D

K4PtRh3S8

K4 Pt1 Rh3 S8

4

[ 1, 1, 1 ]

3

[ [ 7.49445463, 0, 0 ], [ 0, 8.05074967, 0.38760549 ], [ -3.74722732, -3.74378624, 5.30141367 ] ]

agm004716155

[ [ 3.747227315, 0, 0 ], [ 1.873613655, -1.87189312, 2.650706835 ], [ 0, 0, 0 ], [ -1.87361366, -1.87189312, 2.650706835 ], [ 0, 4.025374835, 0.193802745 ], [ 3.747227315, 4.025374835, 0.193802745 ], [ 1.873613655, 2.153481715, 2.84450958 ], [ -1.87361366, 2.153481715, 2.84450958 ], [ -1.8359665059573123, 1.8434894881957857, 5.248206291648042 ], [ 3.52194474699477e-8, 3.6782283043015305, 2.6469337984385968 ], [ -4.024637472425891e-8, 0.598287862518175, 3.0701403977179065 ], [ 1.835966496545105, 1.8434894881957857, 5.248206291648042 ], [ 1.9112608134548945, 2.4634739418042133, 0.4408128683519574 ], [ 3.7472273502463738, 3.7086755674818246, 2.618878762282093 ], [ 3.7472272747805526, 0.6287351256984697, 3.0420853615614027 ], [ 5.583193815957312, 2.4634739418042133, 0.4408128683519574 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "K", "K", "K", "K", "Pt", "Rh", "Rh", "Rh", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.25, 0.0625, 0.1875, 0.5 ]

[ [ 2.7741756, 0, 0 ], [ 0, 2.9174795, 0.14169149 ], [ 0, 0.14169072, 2.6636472 ] ]

-76.749072

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00052051, -0.0024914, -0.0050025 ], [ 0, -0.00343019, 0.00217444 ], [ 0, 0.0021843, 0.00379216 ], [ 0.00052051, -0.0024914, -0.0050025 ], [ -0.00052051, 0.0024914, 0.0050025 ], [ 0, -0.0021843, -0.00379216 ], [ 0, 0.00343019, -0.00217444 ], [ 0.00052051, 0.0024914, 0.0050025 ] ]

0.000009

4.214156

pbe

true

ba628cc78ed622ccad3f3ed96f1d31f5_166_K4Pt1Rh3S8

[ "Ni", "P", "Sc", "Zr" ]

5

A2BCD

NiPScZr2

Zr2 Sc1 Ni1 P1

4

[ 1, 1, 1 ]

3

[ [ 4.93573936, 0, 0 ], [ 0, 4.66502899, 0 ], [ 0, 0, 4.93573936 ] ]

agm001511527

[ [ 0, 0, 0 ], [ 2.46786968, 2.332514495, 2.46786968 ], [ 0, 0, 2.46786968 ], [ 2.46786968, 0, 0 ], [ 0, 2.332514495, 0 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Sc", "Ni", "Zr", "Zr", "P" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -1.2156783, 0, 0 ], [ 0, -0.11806425, 0 ], [ 0, 0, -1.2156783 ] ]

-29.131201

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.0001

6.456348

pbe

true

58cc0edd21d1e54e88dfe230db21c755_123_Zr2Sc1Ni1P1

[ "Pd", "Sb", "Te", "W" ]

5

A2BCD

PdSbTe2W

Sb1 Te2 Pd1 W1

4

[ 1, 1, 1 ]

3

[ [ 5.74037174, 0, 0 ], [ 0, 5.19412204, 0 ], [ 0, 0, 5.74037174 ] ]

agm001482909

[ [ 0, 0, 0 ], [ 0, 0, 2.87018587 ], [ 2.87018587, 0, 0 ], [ 2.87018587, 2.59706102, 2.87018587 ], [ 0, 2.59706102, 0 ] ]

[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Sb", "Te", "Te", "Pd", "W" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 1.0040807, 0, 0 ], [ 0, 1.5714343, 0 ], [ 0, 0, 1.0040807 ] ]

-20.037168

[ -0.076, -0.087, -0.103, -0.163, 2.644 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.04546

5.833771

pbe

true

b43ecc3b48ad7acf7bce699ca1beab4c_123_Sb1Te2Pd1W1

[ "Au", "Pd" ]

3

A2B

AuPd2

Pd2 Au1

2

[ 1, 1, 1 ]

3

[ [ 2.76156811, 0.01325816, 0 ], [ -1.36503267, 2.40064986, 0 ], [ 0, 0, 19.9192245 ] ]

agm2000125054

[ [ 0.3548291546549626, 0.6133212599852644, 9.959612449192246 ], [ 1.0531938373706726, 1.8204430602014081, 12.419224346995094 ], [ 1.0529997884562567, 1.8201075995364504, 7.49999995381266 ] ]

[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Au", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 2.9835017, -0.06334387, -0.00413028 ], [ -0.06334387, 2.9106586, -0.00713918 ], [ -0.00413031, -0.00713924, -0.5044877 ] ]

-12.555848

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.00007022, -0.00012137, -0.00314888 ], [ 0.00007022, 0.00012137, 0.00314888 ] ]

0

2.308606

pbe

true

bb789b6096ea53bf104a9bca998c6a3c_65_Pd2Au1

[ "Hg", "Mo" ]

4

A3B

Hg3Mo

Hg3 Mo1

2

[ 1, 1, 1 ]

3

[ [ 3.08493892, 0, 0 ], [ 0, 10.18409265, -0.02897423 ], [ -1.54246946, -0.45975335, 2.63177943 ] ]

agm004222065

[ [ 1.5424694602092713e-8, 0.1757480167800945, 0.0307019301335159 ], [ 0, 7.4081928125, 1.2941590425 ], [ -1.5424694411477438e-8, 4.456544958219905, 2.586590384866484 ], [ 1.5424694600000002, 2.3161464875, 1.3086461575 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]

[ "Hg", "Hg", "Hg", "Mo" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 6.15376, 0, 0 ], [ 0, 6.6385336, 0.08468638 ], [ 0, 0.08468638, 6.1685543 ] ]

-9.709152

[ 0, 0, 0, 0 ]

[ [ 0, 0.00153101, 0.00026746 ], [ 0, 0, 0 ], [ 0, -0.00153101, -0.00026746 ], [ 0, 0, 0 ] ]

-0.000001

3.273761

pbe

true

d137d1f656d115cc2febbfa87921bd4b_166_Hg3Mo1

[ "Al", "Cs", "S" ]

5

A3BC

Al3CsS

Cs1 Al3 S1

3

[ 1, 1, 1 ]

3

[ [ 6.14670839, 0, 0 ], [ 0, 6.14670839, 0 ], [ 0, 0, 6.14670839 ] ]

agm002397739

[ [ 0, 0, 0 ], [ 3.073354195, 3.073354195, 3.073354195 ], [ 0, 3.073354195, 0 ], [ 0, 0, 3.073354195 ], [ 3.073354195, 0, 0 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "S", "Al", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 0.20513491, 0, 0 ], [ 0, 0.20513491, 0 ], [ 0, 0, 0.20513491 ] ]

-7.168998

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

4.082831

pbe

true

9baabebe10fe78fc6219e87c83b18d1c_221_Cs1Al3S1

[ "Al", "Hf", "Ti" ]

4

A2BC

AlHfTi2

Hf1 Ti2 Al1

3

[ 1, 1, 1 ]

3

[ [ 4.64378753, 0, 0 ], [ 0, 2.97659482, -0.01353487 ], [ 0, -1.08463925, 5.30493211 ] ]

agm003624963

[ [ 2.321893765, -0.542319625, 2.652466055 ], [ 0, 0.6957942759423505, 1.2582308371818909 ], [ 0, 1.1961612940576496, 4.033166402818109 ], [ 2.321893765, 1.48829741, -0.006767435 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Hf", "Ti", "Ti", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.849548, 0, 0 ], [ 0, 4.1556454, -0.07574385 ], [ 0, -0.07574422, 4.191442 ] ]

-29.845421

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0.00036294, -0.00166506 ], [ 0, -0.00036294, 0.00166506 ], [ 0, 0, 0 ] ]

0.000409

5.88998

pbe

true

1ec6c0e44323b8dec9a32b9f88b9a863_10_Hf1Ti2Al1

[ "Au", "Cl", "Hg" ]

8

A6BC

AuCl6Hg

Hg1 Au1 Cl6

3

[ 1, 1, 1 ]

3

[ [ 6.12040435, 4.6e-7, 2.33537865 ], [ 3.06020318, 5.65849999, 1.16768875 ], [ 0.11847806, -8e-8, 7.89992286 ] ]

agm005748761

[ [ 0.05923903, -4e-8, 3.94996143 ], [ 0, 0, 0 ], [ 2.5643818859944263, 1.5940248719999997e-7, 3.9234153918321506 ], [ 2.9625085757225604, 4.002486143945145, 7.457641442878046 ], [ 6.7347037040055735, 5.658500210597513, 7.479574868167849 ], [ 3.2763813764361744, 4.00248622186188, 2.777661589059041 ], [ 6.336577014277439, 1.6560142260548556, 3.945348817121954 ], [ 6.022704213563825, 1.6560141481381199, 8.62532867094096 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Hg", "Au", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.125, 0.75, 0.125 ]

[ [ 0.84639734, 1.7e-7, -0.11537946 ], [ 1.7e-7, 0.5762105, -8e-8 ], [ -0.11537941, -8e-8, 0.81235796 ] ]

-16.854419

[ 0.015, 0.006, 0.341, 0.019, 0.341, 0.019, 0.019, 0.019 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00155361, 0, -0.00149779 ], [ 0.00075802, -0.00244051, 0.00473762 ], [ -0.00155361, 0, 0.00149779 ], [ -0.00075802, -0.00244051, -0.00473762 ], [ -0.00075802, 0.00244051, -0.00473762 ], [ 0.00075802, 0.00244051, 0.00473762 ] ]

0.972393

-0.112738

pbe

true

ad163677eaa4b23dd9a713d713ac8930_12_Hg1Au1Cl6

[ "B", "Tc", "Y" ]

18

A4B4C

B4Tc4Y

Y2 Tc8 B8

3

[ 1, 1, 1 ]

3

[ [ 4.25398397, 0, 0 ], [ 0, 7.36866375, -1e-8 ], [ 0, 1e-8, 7.36866375 ] ]

agm003592151

[ [ 0, 0, 0 ], [ 2.126991985, 3.68433188, 3.68433187 ], [ 1.5654254328732466, 2.703072354047408, 6.443874634461965 ], [ 3.692417417873247, 4.609120995538035, 6.387404214047407 ], [ 1.5654254328732466, 4.6655914059525925, 0.9247891055380344 ], [ 0.5615665521267532, 0.981259535952592, 4.609120985538035 ], [ 2.6885585371267533, 6.443874644461965, 4.665591395952592 ], [ 0.5615665521267532, 6.387404224047407, 2.7595427544619655 ], [ 3.692417417873247, 2.7595427644619654, 0.981259525952592 ], [ 2.6885585371267533, 0.9247891155380344, 2.7030723440474076 ], [ 2.683101611569717, 6.073986953244686, 2.322601847830716 ], [ 2.683101611569717, 1.2946768067553138, 5.046061892169283 ], [ 0.5561096265697165, 6.006933737830717, 4.9790086667553135 ], [ 3.6978743434302834, 2.389655083244686, 6.006933727830716 ], [ 3.6978743434302834, 4.979008676755313, 1.361730012169284 ], [ 1.5708823584302836, 2.322601857830716, 1.2946767967553137 ], [ 1.5708823584302836, 5.046061902169283, 6.0739869432446865 ], [ 0.5561096265697165, 1.361730022169284, 2.389655073244686 ] ]

[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Y", "Tc", "Tc", "Tc", "Tc", "Tc", "Tc", "Tc", "Tc", "B", "B", "B", "B", "B", "B", "B", "B" ]

2023-11-16 06:57:59

[ 0.4444444444444444, 0.4444444444444444, 0.1111111111111111 ]

[ [ 0.2823137, 0, 0 ], [ 0, 0.40674445, -9e-8 ], [ 0, 9e-8, 0.40674445 ] ]

-156.911942

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00055869, 0.00335948, -0.00099497 ], [ 0.00055869, 0.00099497, 0.00335948 ], [ 0.00055869, -0.00335948, 0.00099497 ], [ -0.00055869, -0.00335948, 0.00099497 ], [ -0.00055869, -0.00099497, -0.00335948 ], [ -0.00055869, 0.00335948, -0.00099497 ], [ 0.00055869, -0.00099497, -0.00335948 ], [ -0.00055869, 0.00099497, 0.00335948 ], [ 0.00055196, -0.00179235, 0.00200814 ], [ 0.00055196, 0.00179235, -0.00200814 ], [ 0.00055196, 0.00200814, 0.00179235 ], [ -0.00055196, -0.00179235, 0.00200814 ], [ -0.00055196, 0.00179235, -0.00200814 ], [ -0.00055196, 0.00200814, 0.00179235 ], [ -0.00055196, -0.00200814, -0.00179235 ], [ 0.00055196, -0.00200814, -0.00179235 ] ]

-0.000002

10.098799

pbe

true

28136ccb243d7cba4e5289b44364b2f9_86_Y2Tc8B8

[ "Li", "Mg", "Sn" ]

4

A2BC

LiMgSn2

Li1 Mg1 Sn2

3

[ 1, 1, 1 ]

3

[ [ 5.62811588, -1.63587371, -3.00066156 ], [ -1.4563143, 5.67722818, 3.00066156 ], [ -3.98659849, -0.05862869, 5.24016565 ] ]

agm005239767

[ [ 0, 0, 0 ], [ -2.721456395, 2.809299745, 4.1204136049999995 ], [ -1.3359434586777117, 1.379065130234326, 2.022681536533088 ], [ 1.5211465486777125, 2.6036606497656742, 3.217484113466911 ] ]

[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Li", "Mg", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.3603747, 0.16693349, -0.15961193 ], [ 0.16693349, 2.3497665, 0.1647639 ], [ -0.15961193, 0.1647639, 2.211956 ] ]

-11.070088

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00174133, 0.00179754, 0.00263646 ], [ 0.00174133, -0.00179754, -0.00263646 ] ]

0

2.129099

pbe

true

16b09ea7f69393e637df4e0ffbbf4f40_71_Li1Mg1Sn2

[ "Mn", "Nb", "Ti" ]

4

A2BC

MnNb2Ti

Ti1 Mn1 Nb2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.15690591, 3.15690591 ], [ 3.15690591, 0, 3.15690591 ], [ 3.15690591, 3.15690591, 0 ] ]

agm002745941

[ [ 1.578452955, 1.578452955, 1.578452955 ], [ 4.735358865, 4.735358865, 4.735358865 ], [ 3.15690591, 3.15690591, 3.15690591 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Nb", "Nb", "Mn", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 3.513477, 0, 0 ], [ 0, 3.513477, 0 ], [ 0, 0, 3.513477 ] ]

-37.16964

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

5.558116

pbe

true

3d126f92c67dc894c30f54e0a7c5700d_225_Ti1Mn1Nb2

[ "Ni", "V", "Zn" ]

10

A3BC

Ni3VZn

V2 Zn2 Ni6

3

[ 1, 1, 1 ]

3

[ [ 4.40071363, -0.30105064, -0.56749053 ], [ 0.00001624, 4.15672325, -2.20520353 ], [ -0.81584292, 0.73627194, 6.40808956 ] ]

agm005904728

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[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "V", "V", "Zn", "Zn", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ -5.9167237, 0.12995224, 0.2450302 ], [ 0.12995477, -6.312813, 0.10965755 ], [ 0.245035, 0.10965755, -6.164299 ] ]

-56.018943

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00151256, -0.00176133, -0.00332004 ], [ 0.00151256, 0.00176133, 0.00332004 ], [ -0.00122415, -0.00106004, -0.00199812 ], [ 0.00122415, 0.00106004, 0.00199812 ], [ 0.00001057, -0.00472732, -0.00451013 ], [ 0.00001058, -0.00108357, -0.0064432 ], [ -0.00001058, 0.00108357, 0.0064432 ], [ -0.00001057, 0.00472732, 0.00451013 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

10.916156

pbe

true

0623c2a7eb29c0509c029f2ced7ec990_12_V2Zn2Ni6

[ "Ac", "La", "S", "Y" ]

16

A8B4C3D

Ac4La3S8Y

Ac4 La3 Y1 S8

4

[ 1, 1, 1 ]

3

[ [ 8.39366575, 0, 0 ], [ 0, 8.42073564, 0.01317117 ], [ -4.19683288, -4.19258084, 5.93801689 ] ]

agm004718574

[ [ 4.196832875, 0, 0 ], [ 2.0984164350000003, -2.09629042, 2.969008445 ], [ 0, 0, 0 ], [ -2.09841644, -2.09629042, 2.969008445 ], [ 4.196832875, 4.21036782, 0.006585585 ], [ 2.0984164350000003, 2.1140774, 2.97559403 ], [ -2.09841644, 2.1140774, 2.97559403 ], [ 0, 4.21036782, 0.006585585 ], [ -2.1599906956752446, 2.0044913354019416, 5.907756225413563 ], [ -2.3930706015853294e-9, 4.162282798093479, 2.851667859092499 ], [ -2.5348356850466824e-9, 0.0677030378546315, 3.0138102641183604 ], [ 2.1599907696791125, 2.0044913354019416, 5.907756225413563 ], [ 2.0368421003208876, 2.2236634645980584, 0.0434318345864366 ], [ 4.196832872534836, 4.160451762145369, 2.9373777958816394 ], [ 4.196832872393071, 0.06587200190652218, 3.099520200907501 ], [ 6.356823565675245, 2.2236634645980584, 0.0434318345864366 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]

[ "Ac", "Ac", "Ac", "Ac", "La", "La", "La", "Y", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.25, 0.1875, 0.5, 0.0625 ]

[ [ 0.26533106, 0, 0 ], [ 0, 0.3292396, 0.04366101 ], [ 0, 0.04366103, 0.34698424 ] ]

-103.571998

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00050857, 0.00150368, 0.00073412 ], [ 0, 0.0010873, 0.0012407 ], [ 0, -0.00128443, -0.0008012 ], [ -0.00050857, 0.00150368, 0.00073412 ], [ 0.00050857, -0.00150368, -0.00073412 ], [ 0, 0.00128443, 0.0008012 ], [ 0, -0.0010873, -0.0012407 ], [ -0.00050857, -0.00150368, -0.00073412 ] ]

0.000009

7.745139

pbe

true

7c272364738fcd3a63dc82ede9b73c2f_166_Ac4La3Y1S8

[ "As", "B", "Br", "Pr" ]

8

A4B2CD

AsBBr2Pr4

Pr4 B1 As1 Br2

4

[ 1, 1, 1 ]

3

[ [ 4.15391705, 0, 0 ], [ 0, 7.30093515, 0.15279418 ], [ 0, -2.53166422, 7.35808673 ] ]

agm004813212

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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]

[ "Pr", "Pr", "Pr", "Pr", "B", "As", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.25, 0.5 ]

[ [ 0.19801302, 0, 0 ], [ 0, 0.20050962, -0.01715666 ], [ 0, -0.01715667, 0.24143735 ] ]

-42.636907

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.00020271, -0.00189093 ], [ 0, -0.00020271, 0.00189093 ], [ 0, -0.00268194, 0.0041981 ], [ 0, 0.00268194, -0.0041981 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000005

3.633499

pbe

true

77100a1420942fd020edb770d3e204a0_10_Pr4B1As1Br2

[ "B", "F", "Os", "Pt" ]

5

A2BCD

B2FOsPt

B2 Os1 Pt1 F1

4

[ 1, 1, 1 ]

3

[ [ 3.94449189, 0, 0 ], [ 0, 3.95570646, 0 ], [ 0, 0, 3.94449189 ] ]

agm001430138

[ [ 0, 0, 1.972245945 ], [ 1.972245945, 0, 0 ], [ 0, 1.97785323, 0 ], [ 1.972245945, 1.97785323, 1.972245945 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "B", "B", "Os", "Pt", "F" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 2.0463965, 0, 0 ], [ 0, -1.8327159, 0 ], [ 0, 0, 2.0463965 ] ]

-23.982513

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000003

4.372868

pbe

true

bc0fa16fce98e7f618e4553a881f8a18_123_B2Os1Pt1F1

[ "Ba", "F", "La", "Te" ]

10

A2BCD

BaFLaTe2

Ba2 La2 Te4 F2

4

[ 1, 1, 1 ]

3

[ [ 4.60151831, 0, 0 ], [ 0, 4.60151831, 0 ], [ 0, 0, 16.05391655 ] ]

agm004990715

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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]

[ "Ba", "Ba", "La", "La", "Te", "Te", "Te", "Te", "F", "F" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.1992112, 0, 0 ], [ 0, 0.1992112, 0 ], [ 0, 0, 0.21781206 ] ]

-52.613436

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.00017744 ], [ 0, 0, 0.00017744 ], [ 0, 0, 0.00368028 ], [ 0, 0, -0.00368028 ], [ 0, 0, 0.00030277 ], [ 0, 0, -0.00042816 ], [ 0, 0, 0.00042816 ], [ 0, 0, -0.00030277 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.088987

pbe

true

988eb1058580c660c6b3d9e49b2a34f8_129_Ba2La2Te4F2

[ "Cs", "Hg", "Se", "Th" ]

15

A8B3C3D

Cs3HgSe8Th3

Cs3 Th3 Hg1 Se8

4

[ 1, 1, 1 ]

3

[ [ 8.81797243, 0, 0 ], [ -4.40898622, 7.6327884, -0.03118299 ], [ 0, -5.05844755, 8.39073139 ] ]

agm004691399

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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Cs", "Th", "Th", "Th", "Hg", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.06666666666666667, 0.5333333333333333, 0.2 ]

[ [ 0.582635, 0, 0 ], [ 0, 0.5820628, -0.00030056 ], [ 0, -0.00030056, 0.57808715 ] ]

-74.218459

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.0000096, 0.00267079 ], [ 0, -0.0000096, -0.00267079 ], [ 0, -0.00253793, 0.00386465 ], [ 0, 0.00253793, -0.00386465 ], [ -0.002211, 0.00128974, 0.00384901 ], [ 0.002211, -0.00128974, -0.00384901 ], [ 0.002211, 0.00128974, 0.00384901 ], [ -0.002211, -0.00128974, -0.00384901 ] ]

0

2.591043

pbe

true

05d6bcdb7062887923dbd01352ba788b_166_Cs3Th3Hg1Se8

[ "I", "N", "Se", "Si" ]

5

A2BCD

INSe2Si

Si1 Se2 I1 N1

4

[ 1, 1, 1 ]

3

[ [ 5.35511503, 0, 0 ], [ 0, 3.58462883, 0 ], [ 0, 0, 5.35511503 ] ]

agm001463663

[ [ 2.677557515, 1.792314415, 2.677557515 ], [ 0, 1.792314415, 0 ], [ 0, 0, 2.677557515 ], [ 2.677557515, 0, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "I", "Si", "Se", "Se", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 3.9264026, 0, 0 ], [ 0, -2.39607, 0 ], [ 0, 0, 3.9264026 ] ]

-17.408746

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.102648

pbe

true

b2cbbe2a58af471133e204d808d88eb9_123_Si1Se2I1N1

[ "As", "Ca" ]

5

A3B2

As2Ca3

Ca3 As2

2

[ 1, 1, 1 ]

3

[ [ 5.3039404, 0, 0 ], [ 0, 5.64415042, 0 ], [ 0, 0, 18.29099313 ] ]

agm2000004521

[ [ 1.2120026252129399, 2.525609097559971, 10.265956710841111 ], [ 1.2120026252129399, 1.2407062888480804, 8.025043552646208 ], [ 1.21115638152212, 5.365768278388659, 10.790996742078862 ], [ 1.21115638152212, 4.044697528019392, 7.500003521408459 ], [ 3.8638129644492842, 1.8831597250981766, 9.145482298025359 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]

[ "As", "As", "Ca", "Ca", "Ca" ]

2023-11-16 06:57:59

[ 0.4, 0.6 ]

[ [ 0.20990852, 0, 0 ], [ 0, 0.2718956, 0.02210924 ], [ 0, 0.02210929, -0.09372223 ] ]

-17.180498

[ 0.02, 0.02, 0.053, 0.053, 0.041 ]

[ [ -0.00030038, 0.00140264, -0.0003245 ], [ -0.00030038, -0.00140264, 0.0003245 ], [ 0.00015339, 0.00183428, -0.004235 ], [ 0.00015339, -0.00183428, 0.004235 ], [ 0.00029398, 0, 0 ] ]

0.964378

3.714729

pbe

true

f71c8b43844cda66baf596c7b161db3b_10_Ca3As2

[ "Br", "Cr" ]

3

A2B

Br2Cr

Cr1 Br2

2

[ 1, 1, 1 ]

3

[ [ 5.10817596, 0, 0 ], [ -2.55408798, 4.42381015, 0 ], [ 0, 0, 3.46527906 ] ]

agm004094264

[ [ -2.5540880027816888e-8, 2.949206781412701, 1.73263953 ], [ 2.55408800554088, 1.4746033685872997, 1.73263953 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]

[ "Br", "Br", "Cr" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 0.8731833, 0, 0 ], [ 0, 0.8731833, 0 ], [ 0, 0, 1.0974222 ] ]

-11.233136

[ -0.22, -0.22, 4.164 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.161379

2.847678

pbe

true

1d0ade75068089a1eaf5e9205dbcb499_191_Cr1Br2

[ "P", "Ru" ]

6

A2B

P2Ru

P4 Ru2

2

[ 1, 1, 1 ]

3

[ [ 2.15496059, -3.73250123, 0 ], [ 2.15496059, 3.73250123, 0 ], [ 0, 0, 5.12648937 ] ]

agm005466266

[ [ 0, 0, 0 ], [ 0, 0, 2.563244685 ], [ 2.15496059, 1.2441671015500084, 1.2816223425 ], [ 2.15496059, -1.2441671015500082, 3.8448670275 ], [ 2.15496059, -1.2441671015500082, 1.2816223425 ], [ 2.15496059, 1.2441671015500084, 3.8448670275 ] ]

[{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "P", "P", "P", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 2.6462796, 0, 0 ], [ 0, 2.6462796, 0 ], [ 0, 0, 2.8098707 ] ]

-38.414089

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000008

3.609569

pbe

true

8dc12d41889bd99df9be75cb116d62e5_194_P4Ru2

[ "Ac", "Ca", "Pr" ]

12

A3B2C

Ac3CaPr2

Ca2 Ac6 Pr4

3

[ 1, 1, 1 ]

3

[ [ 7.72977158, -0.00220509, 0.00121683 ], [ -3.86659558, 4.78733448, -2.73521374 ], [ 0.00194897, 0.97309874, 12.80093244 ] ]

agm005586713

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[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]

[ "Ca", "Ca", "Ac", "Ac", "Ac", "Ac", "Ac", "Ac", "Pr", "Pr", "Pr", "Pr" ]

2023-11-16 06:57:59

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ [ 0.29758215, 0.09663101, -0.06540826 ], [ 0.09663094, 0.29064193, 0.01746842 ], [ -0.06540834, 0.01746843, 0.42413124 ] ]

-47.292167

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00130654, 0.00123641, 0.00200285 ], [ -0.00130654, -0.00123641, -0.00200285 ], [ -0.00184689, 0.00088938, 0.00252678 ], [ 0.00184689, -0.00088938, -0.00252678 ], [ -0.00249018, -0.00065981, 0.00248352 ], [ -0.00155314, 0.00189568, -0.00028185 ], [ 0.00155314, -0.00189568, 0.00028185 ], [ 0.00249018, 0.00065981, -0.00248352 ], [ -0.00025006, 0.00350715, 0.00100485 ], [ -0.00076664, -0.00143168, -0.00472818 ], [ 0.00076664, 0.00143168, 0.00472818 ], [ 0.00025006, -0.00350715, -0.00100485 ] ]

0.000001

18.487858

pbe

true

d083cfc3c55625a49057ea46dccb29e8_15_Ca2Ac6Pr4

[ "Ag", "Sb", "Sr" ]

6

ABC

AgSbSr

Sr2 Ag2 Sb2

3

[ 1, 1, 1 ]

3

[ [ 4.99388567, 0.02890911, 0.03782502 ], [ -2.47955624, 8.21200722, 0.03540617 ], [ -2.49316859, 0.70981208, 4.25975224 ] ]

agm003147437

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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Sr", "Sr", "Ag", "Ag", "Sb", "Sb" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.4544976, -0.06962036, -0.01116183 ], [ -0.06962037, 1.6672407, 0.01140036 ], [ -0.01116219, 0.01140075, 1.4867908 ] ]

-21.014288

[ 0, 0, 0, 0, 0, 0 ]

[ [ -0.00195652, 0.01101896, -0.00131814 ], [ 0.00185374, -0.01055971, 0.00141831 ], [ -0.00343907, 0.00519518, -0.0024123 ], [ 0.00317939, -0.00646007, 0.00233592 ], [ 0.00015471, 0.00037794, 0.00010123 ], [ 0.00020775, 0.00042769, -0.00012502 ] ]

0

0.705174

pbe

true

79c508a9eb9be4de6fe955083e011cca_2_Sr2Ag2Sb2

[ "Ho", "Pu", "Tm" ]

10

A5B4C

Ho4PuTm5

Ho4 Tm5 Pu1

3

[ 1, 1, 1 ]

3

[ [ 3.36423129, 0.00019747, -0.82800279 ], [ -0.50935396, 10.95017505, -2.0669062 ], [ 0.27386166, -1.14548197, 8.36003035 ] ]

agm006076558

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[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Ho", "Ho", "Ho", "Ho", "Tm", "Tm", "Tm", "Tm", "Tm", "Pu" ]

2023-11-16 06:57:59

[ 0.4, 0.1, 0.5 ]

[ [ 0.8671925, 0.00681887, -0.03699595 ], [ 0.00681875, 0.760695, 0.00904078 ], [ -0.03699602, 0.00904097, 0.7556656 ] ]

-54.399127

[ -0.007, 0.06, -0.007, 0.06, -0.079, 0.023, 0.023, -0.061, -0.079, 5.536 ]

[ [ 0.0000596, 0.00399724, -0.00315482 ], [ -0.00072376, 0.00393994, 0.00032417 ], [ -0.0000596, -0.00399724, 0.00315482 ], [ 0.00072376, -0.00393994, -0.00032417 ], [ 0.00068998, 0.00012012, -0.00001728 ], [ 0.00194765, -0.00073979, 0.00476909 ], [ -0.00194765, 0.00073979, -0.00476909 ], [ 0, 0, 0 ], [ -0.00068998, -0.00012012, 0.00001728 ], [ 0, 0, 0 ] ]

5.799943

18.195944

pbe

true

bd867049434570f8aee5220403331882_12_Ho4Tm5Pu1

[ "Pb", "Re", "Sc" ]

6

A4BC

PbRe4Sc

Sc1 Re4 Pb1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.76672719, 3.76672719 ], [ 3.76672719, 0, 3.76672719 ], [ 3.76672719, 3.76672719, 0 ] ]

agm005456971

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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Sc", "Re", "Re", "Re", "Re", "Pb" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

[ [ 14.048217, 0, 0 ], [ 0, 14.048217, 0 ], [ 0, 0, 14.048217 ] ]

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[ 0, 0, 0, 0, 0, 0 ]

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0.000022

6.792907

pbe

true

7ab786cd571a83e4bb58e0e2a40ab5ca_216_Sc1Re4Pb1

[ "Ag", "Cl", "Rb", "Y" ]

12

A8B2CD

Ag2Cl8RbY

Rb1 Y1 Ag2 Cl8

4

[ 1, 1, 1 ]

3

[ [ 6.75631714, -0.00000222, 0 ], [ 0.00000222, 6.75631714, 0 ], [ -3.37815968, -3.37815746, 7.45789848 ] ]

agm004897992

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Rb", "Y", "Ag", "Ag", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.08333333333333333, 0.08333333333333333 ]

[ [ 0.45156768, -7e-8, 0 ], [ 7e-8, 0.45156768, 0 ], [ 0, 0, 0.59918773 ] ]

-41.787578

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0.000074

13.225769

pbe

true

8f84132537c1c29a6c1f3e892ca4f6c0_82_Rb1Y1Ag2Cl8

[ "Os", "Tm", "Zn" ]

18

A6B2C

OsTm6Zn2

Tm12 Zn4 Os2

3

[ 1, 1, 1 ]

3

[ [ 7.7783193, 0.42079849, -2.74670848 ], [ -3.91126687, 6.74749386, -2.71975162 ], [ -0.00023253, -0.42079849, 8.24904044 ] ]

agm005805124

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[{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Zn", "Zn", "Zn", "Zn", "Os", "Os" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.2222222222222222 ]

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-85.495951

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-0.000009

14.290571

pbe

true

511ff5986d2c72367e0f0c6f19913272_71_Tm12Zn4Os2

[ "Pd", "Rh", "Ru" ]

10

A2B2C

PdRh2Ru2

Ru4 Pd2 Rh4

3

[ 1, 1, 1 ]

3

[ [ 7.43572043, 0, 0 ], [ 0, 7.43572043, 0 ], [ 0, 0, 2.73047982 ] ]

agm003011036

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[{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Ru", "Ru", "Ru", "Ru", "Rh", "Rh", "Rh", "Rh", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 11.535678, 0, 0 ], [ 0, 11.535678, 0 ], [ 0, 0, 11.728522 ] ]

-73.857966

[ 0, 0, 0, 0, 0.001, -0.001, 0.002, -0.002, -0.001, 0.001 ]

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0

16.397263

pbe

true

98883b25467a0ab629d28d9d4332cfb7_127_Ru4Pd2Rh4

[ "Sb", "Se", "Te" ]

20

A5B4C

Sb4Se5Te

Sb8 Te2 Se10

3

[ 1, 1, 1 ]

3

[ [ 7.85865377, 0, 0 ], [ 0, 8.41043851, 0 ], [ 0, 0, 10.68334337 ] ]

agm003654001

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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Te", "Te", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.4, 0.5, 0.1 ]

[ [ 0.3125208, 0, 0 ], [ 0, 0.37878692, 0 ], [ 0, 0, 0.42114055 ] ]

-76.381889

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-0.000001

0.024937

pbe

true

7e683b0155b4f2e251f5a5fbc4fc2cf1_59_Sb8Te2Se10

[ "Sr", "Y", "Zn" ]

4

A2BC

SrY2Zn

Sr1 Y2 Zn1

3

[ 1, 1, 1 ]

3

[ [ 10.97636, 0, 0 ], [ 10.32759074, 3.7177074, 0 ], [ 10.32759074, 1.80224603, 3.25165459 ] ]

agm004401728

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[{"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Sr", "Y", "Y", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.9102749, 0.05322716, 0.03135467 ], [ 0.05322716, 0.61455053, 0.00547164 ], [ 0.03135467, 0.00547164, 0.60848516 ] ]

-15.764405

[ 0.018, 0.109, 0.109, 0.008 ]

[ [ 0, 0, 0 ], [ -0.00408414, -0.00071271, -0.00041984 ], [ 0.00408414, 0.00071271, 0.00041984 ], [ 0, 0, 0 ] ]

0.574126

4.970214

pbe

true

d87b48927fb256c6b932d9cc8c5fba55_166_Sr1Y2Zn1

[ "Ag", "Cd", "Na", "Sn" ]

5

A2BCD

AgCdNa2Sn

Na2 Cd1 Ag1 Sn1

4

[ 1, 1, 1 ]

3

[ [ 5.4917004, 0, 0 ], [ 0, 5.20282069, 0 ], [ 0, 0, 5.4917004 ] ]

agm001516397

[ [ 0, 0, 2.7458502 ], [ 2.7458502, 0, 0 ], [ 2.7458502, 2.601410345, 2.7458502 ], [ 0, 2.601410345, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Na", "Na", "Sn", "Ag", "Cd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

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0

2.92326

pbe

true

e4de23a74196b00cb1b72d850f482bdd_123_Na2Cd1Ag1Sn1