LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Bi", "Ho", "Sc", "Tm" ]

12

A6B3C2D

Bi6Ho2Sc3Tm

Ho2 Tm1 Sc3 Bi6

4

[ 1, 1, 1 ]

3

[ [ 7.55594754, -0.0026688, 0.0010688 ], [ -3.77844633, 6.54337021, 0.0010688 ], [ -1.25952892, -2.18086035, 7.11286623 ] ]

agm004649146

[ [ 0.0026991909244750163, 4.359616374872477, 0.0010688 ], [ 3.7748020190755254, 2.1810850351275226, 0.0010688 ], [ 0, 0, 0 ], [ -2.509649945441972, 4.356449698253356, 3.557501915 ], [ 5.027622235441973, 0.003391361746643895, 3.557501915 ], [ 1.2589861450000002, 2.1799205299999995, 3.557501915 ], [ 3.7727581542574455, 2.1881989136588387, 5.246831884199393 ], [ 2.5239163818067207, 4.370133194433642, 1.8750160988086868 ], [ -1.2547858642574456, 2.171642146341161, 1.8681719458006065 ], [ 0.009882429468085277, 4.361401253966533, 5.246831884199393 ], [ -0.005944091806721376, -0.010292134433642831, 5.239987731191313 ], [ 2.5080898605319146, -0.001560193966533109, 1.8681719458006065 ] ]

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

[ "Ho", "Ho", "Tm", "Sc", "Sc", "Sc", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.16666666666666666, 0.25, 0.08333333333333333 ]

[ [ 0.8312357, 0.03235717, 0.00378449 ], [ 0.03235717, 0.8685743, 0.0065528 ], [ 0.00378447, 0.00655277, 0.88933355 ] ]

-64.744043

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

[ [ 0.00050328, -0.00029066, 0 ], [ -0.00050328, 0.00029066, 0 ], [ 0, 0, 0 ], [ -0.00150895, 0.00087147, 0 ], [ 0.00150895, -0.00087147, 0 ], [ 0, 0, 0 ], [ 0.00204749, -0.00165247, -0.00037295 ], [ -0.00065025, -0.0011259, -0.00084289 ], [ -0.00204749, 0.00165247, 0.00037295 ], [ -0.00245455, 0.00094763, -0.00037295 ], [ 0.00065025, 0.0011259, 0.00084289 ], [ 0.00245455, -0.00094763, 0.00037295 ] ]

0.000002

2.105862

pbe

true

cfeb63ebbde83dda2aed062998d04588_12_Ho2Tm1Sc3Bi6

[ "K", "S", "Sn" ]

4

A2BC

KS2Sn

K1 S2 Sn1

3

[ 1, 1, 1 ]

3

[ [ 3.55164377, -0.21664117, 7.0534673 ], [ 1.50463589, 3.22446549, 7.0534673 ], [ -0.36418295, -0.21664117, 7.88878604 ] ]

mp-7794

[ [ 2.821237399442388, 1.6782668342472025, 13.225462630597583 ], [ 1.8871856487439251, 1.1226283491705487, 8.846792999198122 ], [ 3.915682047999709, 2.3293180913856912, 18.35602583793817 ], [ 0.0093528502139772, 0.0055637211965580005, 0.0438445098661248 ] ]

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

[ "S", "S", "K", "Sn" ]

2011-05-28 04:17:04

[ 0.25, 0.5, 0.25 ]

[ [ -0.0496539, -0.00589937, -0.0464896 ], [ -0.00589937, -0.04324616, -0.02765522 ], [ -0.0464896, -0.02765522, -0.25767184 ] ]

-16.154742

[]

[ [ -0.00007583, -0.00004511, -0.00035546 ], [ -0.00022129, -0.00013164, -0.00103736 ], [ -0.0000324, -0.00001928, -0.0001519 ], [ 0.00032952, 0.00019602, 0.00154471 ] ]

null

4.040036

pbe

true

87ff92b08053d0584bf285f29638cedf_160_K1Sn1S2

[ "C", "Cd", "I" ]

4

A2BC

C2CdI

Cd1 C2 I1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.15676604, 3.15676604 ], [ 3.15676604, 0, 3.15676604 ], [ 3.15676604, 3.15676604, 0 ] ]

agm002651408

[ [ 3.15676604, 3.15676604, 3.15676604 ], [ 1.57838302, 1.57838302, 1.57838302 ], [ 4.7351490599999995, 4.7351490599999995, 4.7351490599999995 ], [ 0, 0, 0 ] ]

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

[ "I", "C", "C", "Cd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -1.0718405, 0, 0 ], [ 0, -1.0718405, 0 ], [ 0, 0, -1.0718405 ] ]

-9.882555

[ 0, 0, 0, 0 ]

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

0.000001

3.252272

pbe

true

aad21ea3d86f3f01adb8462b0cc662ee_225_Cd1C2I1

[ "C", "F", "Rb", "Ti" ]

10

A6B2CD

CF6Rb2Ti

Rb2 Ti1 C1 F6

4

[ 1, 1, 1 ]

3

[ [ 5.70635717, 0, 0 ], [ 0, 5.70635717, 0 ], [ 2.85317859, 2.85317859, 5.27202275 ] ]

agm004484544

[ [ 2.853178585, 2.853178585, 0 ], [ 2.853178588169105, 2.853178588169105, 3.3415188368682047 ], [ 5.706357171830896, 5.706357171830896, 1.9305039131317947 ], [ 1.3525117033254999, 1.3525117033254999, 0 ], [ 4.353845466674501, 4.353845466674501, 0 ], [ 4.353845466674501, 1.3525117033254999, 0 ], [ 1.3525117033254999, 4.353845466674501, 0 ], [ 5.706357172500001, 2.8531785875000004, 2.636011375 ], [ 2.8531785875000004, 5.706357172500001, 2.636011375 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "C", "F", "F", "F", "F", "F", "F", "Rb", "Rb", "Ti" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.2, 0.1 ]

[ [ 1.6669743, 0, 0 ], [ 0, 1.6669743, 0 ], [ 0, 0, 3.702767 ] ]

-50.902051

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

[ [ 0, 0, 0 ], [ 0, 0, -0.03299805 ], [ 0, 0, 0.03299805 ], [ -0.00164142, -0.00164142, 0 ], [ 0.00164142, 0.00164142, 0 ], [ 0.00164142, -0.00164142, 0 ], [ -0.00164142, 0.00164142, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000002

0

pbe

true

3c2249cebce614115dd31be6894c9258_139_Rb2Ti1C1F6

[ "Cs", "H", "Ir", "Pb" ]

9

A6BCD

CsH6IrPb

Cs1 H6 Ir1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 5.15354869, 0.00001113, -0.00009837 ], [ 2.57686862, 4.46301777, 0.0003717 ], [ 0.00062592, 0.00000288, 6.02238406 ] ]

agm005098732

[ [ 7.73058069766264, 4.462601075416557, 5.601253920697384 ], [ 1.3694047707545038, 0.7906360751694688, 2.184254927919712 ], [ 2.576979765534199, 0.1615647599425005, 4.1650523513475095 ], [ 3.724857754879599, 2.1502541030433404, 4.166418426877326 ], [ 1.428654136730116, 2.149859299515926, 4.16572279131351 ], [ 2.5770702748613585, 2.883862415045285, 2.186803483298196 ], [ 3.7855423396746755, 0.7904401459280634, 2.1855523238185177 ], [ 2.576961003190543, 1.4878411155610585, 3.1044473923961577 ], [ 5.15365825054773, 2.9752945600491962, 2.3529719918104495 ] ]

[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "H", "H", "H", "H", "H", "H", "Ir", "Pb" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]

[ [ 9.295844, -0.01070173, -0.02417478 ], [ -0.01070182, 9.307613, -0.00776764 ], [ -0.02417458, -0.00776765, 9.430058 ] ]

-35.004759

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

[ [ -0.00009652, -0.00000443, 0.00241707 ], [ 0.02364647, 0.0139362, 0.01772006 ], [ -0.00036102, 0.02347612, -0.02014375 ], [ -0.02154658, -0.01241896, -0.02162547 ], [ 0.01940452, -0.01103383, -0.01913644 ], [ -0.00017993, -0.02753048, 0.01739788 ], [ -0.024648, 0.01398196, 0.01798499 ], [ 0.00369391, -0.00044464, 0.00282227 ], [ 0.00008716, 0.00003806, 0.00256339 ] ]

0

pbe

true

12032e591207d71ed12fcff14b9029a6_156_Cs1H6Ir1Pb1

[ "Ca", "I", "Tb" ]

9

A6B2C

Ca2I6Tb

Ca2 Tb1 I6

3

[ 1, 1, 1 ]

3

[ [ 4.35445986, 0.00000583, 0.00000257 ], [ -2.17722067, 7.97560812, -3.08575708 ], [ 0.00000619, -0.01924834, 11.5774444 ] ]

agm005812619

[ [ 2.177159757984747, 2.6277825723556973, 8.588382582008139 ], [ -0.0001364551783267299, 5.328806354455953, -0.09677909330146851 ], [ 0.0000030950123799999996, -0.009624208496679998, 5.788745354888799 ], [ -0.00003020671122572813, 4.866068692888965, 8.340490732036239 ], [ 2.1771754343072662, 3.0904564676943247, 0.15111428789995074 ], [ 2.1772009422584144, 7.587058813618186, -0.3806440813317368 ], [ 2.1772336916700135, 2.213469113361976, 5.458612599290288 ], [ -0.000018701818333986054, 0.36939450877032404, 8.872311605425127 ], [ 0.000009511109316361479, 5.742904472246145, 3.033074204952631 ] ]

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

[ "Ca", "Ca", "Tb", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.6666666666666666, 0.1111111111111111 ]

[ [ 0.24072596, 7.2e-7, 1.2e-7 ], [ 7.2e-7, 0.32596323, -0.09505853 ], [ 1.2e-7, -0.09505885, 0.20826581 ] ]

-30.989483

[ 0.019, 0.019, 0.317, 0, 0, 0, 0.003, 0, 0.003 ]

[ [ 1e-8, 0.00362367, 0.0009901 ], [ -1e-8, -0.00362367, -0.0009901 ], [ 0, 0, 0 ], [ 0, -0.00408727, 0.00526787 ], [ 0, 0.00408727, -0.00526787 ], [ 0, -0.00070275, -0.00421859 ], [ 0, 0.0011433, -0.00329101 ], [ 0, 0.00070275, 0.00421859 ], [ 0, -0.0011433, 0.00329101 ] ]

0.662501

3.739842

pbe

true

2068c854fd92b8b8a5315791bd4d66f6_12_Ca2Tb1I6

[ "As", "Ba", "La", "Ni" ]

6

A2B2CD

As2BaLaNi2

Ba1 La1 Ni2 As2

4

[ 1, 1, 1 ]

3

[ [ 4.18076226, 0, 0 ], [ -2.09038113, 3.62064632, 0 ], [ 0, 0, 8.96090033 ] ]

agm004744678

[ [ 0, 0, 0 ], [ 0, 0, 4.480450165 ], [ -2.0903811515415577e-8, 2.4137642254021543, 6.512323651356107 ], [ 2.0903811509038115, 1.2068820945978456, 2.4485766786438923 ], [ -2.0903811515415577e-8, 2.4137642254021543, 2.419082233643711 ], [ 2.0903811509038115, 1.2068820945978456, 6.541818096356289 ] ]

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

[ "Ba", "La", "Ni", "Ni", "As", "As" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]

[ [ -2.2504008, 0, 0 ], [ 0, -2.2504008, 0 ], [ 0, 0, -2.397528 ] ]

-33.163068

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00800966 ], [ 0, 0, 0.00800966 ], [ 0, 0, -0.00277947 ], [ 0, 0, 0.00277947 ] ]

0.000012

4.500547

pbe

true

ad622f78cf683260dcb29411544b37ed_164_Ba1La1Ni2As2

[ "Ce", "Cu", "Ge" ]

9

A6B2C

CeCu6Ge2

Ce1 Cu6 Ge2

3

[ 1, 1, 1 ]

3

[ [ 4.1185373, 0, 0 ], [ 0, 4.1185373, 0 ], [ 0, 0, 8.06232111 ] ]

agm005730938

[ [ 0, 0, 0 ], [ 0, 2.05926865, 2.571968313390099 ], [ 2.05926865, 0, 2.571968313390099 ], [ 0, 2.05926865, 5.4903527966099 ], [ 2.05926865, 0, 5.4903527966099 ], [ 2.05926865, 2.05926865, 4.031160555 ], [ 0, 0, 4.031160555 ], [ 2.05926865, 2.05926865, 1.2565479773367505 ], [ 2.05926865, 2.05926865, 6.805773132663249 ] ]

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

[ "Ce", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.2222222222222222 ]

[ [ -4.3998356, 0, 0 ], [ 0, -4.3998356, 0 ], [ 0, 0, -6.724886 ] ]

-41.756129

[ 0.576, 0.002, 0.002, 0.002, 0.002, -0.001, -0.003, -0.004, -0.004 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.02960271 ], [ 0, 0, 0.02960271 ], [ 0, 0, -0.02960271 ], [ 0, 0, -0.02960271 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00203079 ], [ 0, 0, 0.00203079 ] ]

0.660364

7.543804

pbe

true

c58530d7e655b08105cfcdf8b436e367_123_Ce1Cu6Ge2

[ "Hf", "Np", "Pa" ]

4

A2BC

Hf2NpPa

Hf2 Np1 Pa1

3

[ 1, 1, 1 ]

3

[ [ 3.13910948, 0, 0 ], [ 1.56955474, 2.71854856, 0 ], [ 1.56955474, 0.90618285, 10.85784474 ] ]

agm001974225

[ [ 0, 0, 0 ], [ 3.13910948, 1.812365705, 5.42892237 ], [ 1.5695563252502875, 0.9061837677603066, 2.6635659064088295 ], [ 4.708662634749713, 2.7185476422396935, 8.194278833591172 ] ]

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

[ "Np", "Pa", "Hf", "Hf" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.126495, 0, 0 ], [ 0, 5.126495, 0 ], [ 0, 0, 0.90324277 ] ]

-41.21495

[ 3.296, 0.036, -0.058, -0.058 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.01251651 ], [ 0, 0, -0.01251651 ] ]

3.323439

10.023024

pbe

true

68cc7ff9f46bf15de20037a1596e28a7_166_Hf2Np1Pa1

[ "Al", "Mo", "Tc" ]

4

A2BC

AlMo2Tc

Al1 Tc1 Mo2

3

[ 1, 1, 1 ]

3

[ [ 4.40944659, 0, 0 ], [ 0, 4.40944659, 0 ], [ 0, 0, 3.12578898 ] ]

agm003787930

[ [ 0, 0, 0 ], [ 2.204723295, 2.204723295, 0 ], [ 2.204723295, 0, 1.56289449 ], [ 0, 2.204723295, 1.56289449 ] ]

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

[ "Mo", "Mo", "Tc", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 7.140733, 0, 0 ], [ 0, 7.140733, 0 ], [ 0, 0, 7.9665513 ] ]

-35.538771

[ 0, 0, 0, 0 ]

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

0.000387

5.181131

pbe

true

b890453f89a32a1d3302e18bcdc41497_123_Al1Tc1Mo2

[ "B", "Mo", "Os" ]

10

A2B2C

B2Mo2Os

B4 Mo4 Os2

3

[ 1, 1, 1 ]

3

[ [ 6.63410218, 0, 0 ], [ 0, 6.63410218, 0 ], [ 0, 0, 2.79279943 ] ]

agm002958889

[ [ 2.408426543351314, 5.725477633351314, 0 ], [ 5.725477633351314, 4.2256756366486865, 0 ], [ 4.2256756366486865, 0.908624546648686, 0 ], [ 0.908624546648686, 2.408426543351314, 0 ], [ 1.0699365225936286, 4.386987612593629, 1.396399715 ], [ 4.386987612593629, 5.564165657406372, 1.396399715 ], [ 5.564165657406372, 2.2471145674063715, 1.396399715 ], [ 2.2471145674063715, 1.0699365225936286, 1.396399715 ], [ 0, 0, 0 ], [ 3.31705109, 3.31705109, 0 ] ]

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

[ "Mo", "Mo", "Mo", "Mo", "B", "B", "B", "B", "Os", "Os" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ -0.45398045, 0, 0 ], [ 0, -0.45398045, 0 ], [ 0, 0, 3.341782 ] ]

-85.687484

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

[ [ 0.01048115, 0.01048115, 0 ], [ 0.01048115, -0.01048115, 0 ], [ -0.01048115, -0.01048115, 0 ], [ -0.01048115, 0.01048115, 0 ], [ 0.01850012, 0.01850012, 0 ], [ 0.01850012, -0.01850012, 0 ], [ -0.01850012, -0.01850012, 0 ], [ -0.01850012, 0.01850012, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

6.882542

pbe

true

68f10d4e1a8ba52247024226914235e1_127_B4Mo4Os2

[ "Cu", "Fe", "Ga", "Mn" ]

5

A2BCD

CuFeGa2Mn

Mn1 Ga2 Fe1 Cu1

4

[ 1, 1, 1 ]

3

[ [ 4.57746416, 0, 0 ], [ 0, 4.17421632, 0 ], [ 0, 0, 4.57746416 ] ]

agm001486669

[ [ 0, 0, 0 ], [ 2.28873208, 2.08710816, 2.28873208 ], [ 0, 0, 2.28873208 ], [ 2.28873208, 0, 0 ], [ 0, 2.08710816, 0 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Mn", "Cu", "Ga", "Ga", "Fe" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ -0.21885337, 0, 0 ], [ 0, 8.06545, 0 ], [ 0, 0, -0.21885337 ] ]

-23.937021

[ -0.137, -0.003, -0.02, 0.016, 2.224 ]

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

2.079687

5.012132

pbe

true

bafd1aac263310f8f36c766c9d6b08fb_123_Mn1Ga2Fe1Cu1

[ "Lu", "Th", "Tm" ]

4

A2BC

Lu2ThTm

Tm1 Lu2 Th1

3

[ 1, 1, 1 ]

3

[ [ 3.50188217, 0, 0 ], [ 0, 3.50188217, 0 ], [ 0, 0, 9.94191003 ] ]

agm001162286

[ [ 0, 0, 7.4702191679768015 ], [ 0, 0, 2.4716908620231983 ], [ 1.750941085, 1.750941085, 4.970955015 ], [ 1.750941085, 1.750941085, 0 ] ]

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

[ "Lu", "Lu", "Tm", "Th" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.5905714, 0, 0 ], [ 0, 0.5905714, 0 ], [ 0, 0, 0.42175183 ] ]

-20.830971

[ 0, 0, 0.001, 0 ]

[ [ 0, 0, 0.00019059 ], [ 0, 0, -0.00019059 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.001286

6.025518

pbe

true

d063a14c4ac2cbcafc55c622070ed688_123_Tm1Lu2Th1

[ "N", "Pm", "Sm" ]

3

ABC

NPmSm

Pm1 Sm1 N1

3

[ 1, 1, 1 ]

3

[ [ 4.78087732, 0, 0 ], [ 0, 4.78087732, 0 ], [ -2.39043866, -2.39043866, 3.9322542 ] ]

agm001849996

[ [ 2.390438636095613, 2.390438636095613, 3.022697496759402 ], [ -2.3904386692976918e-8, -2.3904386692976918e-8, 2.7498804529413423 ], [ 2.39043866, 2.39043866, 0.9122463257908561 ] ]

[{"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": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Pm", "Sm", "N" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.19885866, 0, 0 ], [ 0, 0.19885866, 0 ], [ 0, 0, 0.03051674 ] ]

-17.186298

[ 0, 0, 0 ]

[ [ 0, 0, 0.00199061 ], [ 0, 0, -0.0020075 ], [ 0, 0, 0.00001689 ] ]

0.000017

2.742478

pbe

true

7d6b38800da4417d74df0105adbdf01e_107_Pm1Sm1N1

[ "Co", "In", "Ni" ]

5

A3BC

CoIn3Ni

In3 Co1 Ni1

3

[ 1, 1, 1 ]

3

[ [ 4.86327851, 0, 0 ], [ 0, 4.86327851, 0 ], [ 0, 0, 4.86327851 ] ]

agm002454433

[ [ 0, 0, 0 ], [ 2.431639255, 2.431639255, 2.431639255 ], [ 0, 2.431639255, 0 ], [ 0, 0, 2.431639255 ], [ 2.431639255, 0, 0 ] ]

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

[ "Ni", "Co", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ -1.4085242, 0, 0 ], [ 0, -1.4085242, 0 ], [ 0, 0, -1.4085242 ] ]

-18.422167

[ -0.064, 1.917, 0, 0.027, 0.001 ]

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

1.835462

5.897215

pbe

true

701857c1b1d1e8264c37b2d7c86914fb_221_In3Co1Ni1

[ "Ho", "Lu", "Pb", "Pm" ]

4

ABCD

HoLuPbPm

Pm1 Ho1 Lu1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 5.49154945, 0, 0 ], [ 2.74577472, 4.75582133, 0 ], [ 2.74577472, 1.58527378, 4.48383135 ] ]

agm001407882

[ [ 2.7457747225, 1.5852737774999999, 1.1209578375 ], [ 8.237324167499999, 4.7558213325, 3.3628735125 ], [ 5.491549445, 3.1705475549999997, 2.241915675 ], [ 0, 0, 0 ] ]

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

[ "Pb", "Lu", "Ho", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.4096197, 0, 0 ], [ 0, 1.4096197, 0 ], [ 0, 0, 1.4096197 ] ]

-18.022796

[ 0, 0.011, 0.013, 0.009 ]

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

0.047985

7.221838

pbe

true

792de1b93dd77ee47ae400d1f52c0a76_216_Pm1Ho1Lu1Pb1

[ "Dy", "O", "Pb" ]

4

A2BC

Dy2OPb

Dy2 Pb1 O1

3

[ 1, 1, 1 ]

3

[ [ 3.18937451, 0, 0 ], [ 0, 3.18937451, 0 ], [ 0, 0, 7.85436522 ] ]

agm001117764

[ [ 1.594687255, 1.594687255, 3.92718261 ], [ 1.594687255, 1.594687255, 0 ], [ 0, 0, 6.315200091305836 ], [ 0, 0, 1.5391651286941643 ] ]

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

[ "Pb", "O", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.23991899, 0, 0 ], [ 0, 0.23991899, 0 ], [ 0, 0, 0.09863393 ] ]

-22.11997

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00129617 ], [ 0, 0, 0.00129617 ] ]

0.000167

2.644708

pbe

true

e223224e4322a12d9bb5098962296d84_123_Dy2Pb1O1

[ "Ca", "K", "Rh", "Ta" ]

5

A2BCD

CaKRh2Ta

K1 Ca1 Ta1 Rh2

4

[ 1, 1, 1 ]

3

[ [ 4.86139987, 0, 0 ], [ 0, 4.80619409, 0 ], [ 0, 0, 4.86139987 ] ]

agm001518308

[ [ 2.430699935, 2.403097045, 2.430699935 ], [ 0, 0, 2.430699935 ], [ 2.430699935, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.403097045, 0 ] ]

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

[ "Ca", "Rh", "Rh", "K", "Ta" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 4.3628044, 0, 0 ], [ 0, 5.1443963, 0 ], [ 0, 0, 4.3628044 ] ]

-19.653432

[ 0.019, -0.006, -0.011, 0.067, 0.626 ]

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

0.91114

6.063948

pbe

true

0acf113424853be613f4af07bcde8e52_123_K1Ca1Ta1Rh2

[ "Hf", "Sn", "V" ]

4

A2BC

Hf2SnV

Hf2 V1 Sn1

3

[ 1, 1, 1 ]

3

[ [ 3.97403305, 0, 0 ], [ 0, 4.4624739, 0 ], [ 0, 0, 4.4624739 ] ]

agm001230456

[ [ 0, 0, 2.23123695 ], [ 0, 2.23123695, 0 ], [ 1.987016525, 0, 0 ], [ 1.987016525, 2.23123695, 2.23123695 ] ]

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

[ "Hf", "Hf", "Sn", "V" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.535887, 0, 0 ], [ 0, 3.1886897, 0 ], [ 0, 0, 3.1886897 ] ]

-33.495902

[ -0.059, -0.059, -0.018, 1.01 ]

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

0.987009

2.696773

pbe

true

14111cd8f3c9d7595dfe7d62f88cf5f1_123_Hf2V1Sn1

[ "Mg", "Pd", "Pt" ]

19

A12B5C2

Mg5Pd12Pt2

Mg5 Pd12 Pt2

3

[ 1, 1, 1 ]

3

[ [ 5.51083041, 0, 0 ], [ -2.75541521, 7.89610656, 0.36755345 ], [ 0, -2.38193213, 7.52913993 ] ]

agm003368714

[ [ 2.4835085631224835e-8, 2.939698440584958, 4.480769106894165 ], [ 2.3715747556514e-8, 5.775199214120792, 1.1877442480452671 ], [ 0, -1.190966065, 3.764569965 ], [ 2.7554151762842523, -0.2610247841207921, 6.708949131954733 ], [ 2.7554151751649143, 2.574475989415042, 3.4159242731058352 ], [ -9.808215206509705e-10, 0.8648739876176424, 2.2343728778055367 ], [ -1.4204962552511438, 2.5334147326175285, 6.74107889015554 ], [ 1.4204963045359214, 2.5334147326175285, 6.74107889015554 ], [ -1.3590039303686152, 4.784242435612727, 3.2021517509877997 ], [ 1.3590039231332167, 4.784242435612727, 3.2021517509877997 ], [ -3.19988889440021e-8, 5.363581539539262, 5.5601172995708135 ], [ 2.755415231998889, 0.15059289046073707, 2.3365760804291873 ], [ 4.114419130368614, 0.7299319943872726, 4.694541629012201 ], [ 1.3964112768667831, 0.7299319943872726, 4.694541629012201 ], [ 4.175911455251144, 2.9807596973824717, 1.1556144898444598 ], [ 1.3349188954640785, 2.9807596973824717, 1.1556144898444598 ], [ 2.755415200980821, 4.6493004423823585, 5.662320502194463 ], [ 4.182905004225343, 0, 0 ], [ -1.427489804225343, 5.51417443, 7.89669338 ] ]

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

[ "Mg", "Mg", "Mg", "Mg", "Mg", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.2631578947368421, 0.631578947368421, 0.10526315789473684 ]

[ [ 6.5248923, 0, 0 ], [ 0, 5.9824977, 0.02710658 ], [ 0, 0.02710655, 6.481163 ] ]

-86.316883

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

[ [ 0, -0.0010258, 0.00494453 ], [ 0, 0.00588199, 0.00099337 ], [ 0, 0, 0 ], [ 0, -0.00588199, -0.00099337 ], [ 0, 0.0010258, -0.00494453 ], [ 0, -0.00066327, -0.0008795 ], [ 0.00303583, 0.00081894, -0.00147808 ], [ -0.00303583, 0.00081894, -0.00147808 ], [ -0.0027141, -0.00159529, 0.00140353 ], [ 0.0027141, -0.00159529, 0.00140353 ], [ 0, -0.00604186, -0.0005856 ], [ 0, 0.00604186, 0.0005856 ], [ 0.0027141, 0.00159529, -0.00140353 ], [ -0.0027141, 0.00159529, -0.00140353 ], [ -0.00303583, -0.00081894, 0.00147808 ], [ 0.00303583, -0.00081894, 0.00147808 ], [ 0, 0.00066327, 0.0008795 ], [ -0.00610801, 0, 0 ], [ 0.00610801, 0, 0 ] ]

-0.000015

11.949906

pbe

true

749ab72c0d48807ca95f99c4b3e8086b_12_Mg5Pd12Pt2

[ "Cd", "Hf", "W" ]

4

A2BC

CdHfW2

Hf1 Cd1 W2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.3128568, 3.3128568 ], [ 3.3128568, 0, 3.3128568 ], [ 3.3128568, 3.3128568, 0 ] ]

agm002658615

[ [ 3.3128568, 3.3128568, 3.3128568 ], [ 1.6564284, 1.6564284, 1.6564284 ], [ 4.9692852, 4.9692852, 4.9692852 ], [ 0, 0, 0 ] ]

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

[ "Hf", "W", "W", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.0356917, 0, 0 ], [ 0, 5.0356917, 0 ], [ 0, 0, 5.0356917 ] ]

-33.80557

[ 0, 0, 0, 0 ]

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

-0

4.902525

pbe

true

f1f93adc3eb4c14a2790f680e81ba74c_225_Hf1Cd1W2

[ "As", "N", "Se" ]

7

A3B2C2

As2N2Se3

As2 Se3 N2

3

[ 1, 1, 1 ]

3

[ [ 3.15273628, -0.26178547, -1.94141299 ], [ -0.18268599, 10.24245524, 1.83773379 ], [ -2.53247922, 1.27325677, 6.36654881 ] ]

agm005556673

[ [ 2.143265225961913, 1.705364875972902, -0.3111142532817944 ], [ -1.705685245811043, 9.548591606036409, 6.5739835522441945 ], [ 2.96996791399523, 9.980491858370769, -0.10361798974291989 ], [ 1.176908868321378, 3.643534993272526, 1.3993616571683734 ], [ -0.7393411337436476, 7.610402050968184, 4.863511731978407 ], [ -1.0497566481490563, 4.149145884408403, 4.809463131132813 ], [ 1.4874045194252263, 7.104918120970807, 1.453341800500928 ] ]

[{"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": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "As", "As", "Se", "Se", "Se", "N", "N" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.2857142857142857, 0.42857142857142855 ]

[ [ 0.2880102, -0.10644567, 0.03115188 ], [ -0.10644523, 0.12945151, -0.07693663 ], [ 0.03115144, -0.07693731, 0.4188354 ] ]

-32.910387

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

[ [ 0.0015544, -0.00256095, 0.00093847 ], [ -0.0015544, 0.00256095, -0.00093847 ], [ 0, 0, 0 ], [ -0.00109169, -0.00100173, -0.00427202 ], [ 0.00109169, 0.00100173, 0.00427202 ], [ 0.00123511, -0.00005032, -0.00303786 ], [ -0.00123511, 0.00005032, 0.00303786 ] ]

0

2.938303

pbe

true

46e3c321f72c3589384664dd56b8d52b_2_As2Se3N2

[ "B", "Rb", "W" ]

4

A2BC

BRbW2

Rb1 B1 W2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.13087659, 3.13087659 ], [ 3.13087659, 0, 3.13087659 ], [ 3.13087659, 3.13087659, 0 ] ]

agm002638258

[ [ 0, 0, 0 ], [ 3.13087659, 3.13087659, 3.13087659 ], [ 1.565438295, 1.565438295, 1.565438295 ], [ 4.6963148850000005, 4.6963148850000005, 4.6963148850000005 ] ]

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

[ "B", "Rb", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.09870816, 0, 0 ], [ 0, 0.09870816, 0 ], [ 0, 0, 0.09870816 ] ]

-23.079092

[ 0, 0, 0, 0 ]

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

0

2.667421

pbe

true

a387ab27c09a919505aee6f0dfe5847e_225_Rb1B1W2

[ "Ca", "Li", "N", "O", "Re" ]

82

A16B12C6D4E3

Ca12Li6N16O3Re4

Ca24 Li12 N32 O6 Re8

5

[ 1, 1, 1 ]

3

[ [ 10.70586369, 0, -3.78509441 ], [ -5.35293184, 9.27154992, -3.78509441 ], [ 0, 0, 11.35528322 ] ]

mp-16181

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[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re" ]

2014-02-15 21:52:22

[ 0.2926829268292683, 0.14634146341463414, 0.3902439024390244, 0.07317073170731707, 0.0975609756097561 ]

[ [ 0.07713694, 0, 0 ], [ 0, 0.07713694, 0 ], [ 0, 0, 0.07713694 ] ]

-558.610328

[]

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null

0

pbe

true

4b022283d61601fc9d97785c02fc7184_220_Li12Ca24Re8N32O6

[ "Mg", "Mn" ]

7

A6B

MgMn6

Mg1 Mn6

2

[ 1, 1, 1 ]

3

[ [ 5.24326344, 0, 0 ], [ -1.74775448, 4.94339618, 0 ], [ -1.74775448, -2.47169809, 4.28110667 ] ]

agm005405935

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

[ "Mg", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.8571428571428571 ]

[ [ 1.9178612, 0, 0 ], [ 0, 1.9178612, 0 ], [ 0, 0, 1.9178612 ] ]

-49.636642

[ 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 ] ]

-0.000004

6.098343

pbe

true

863d5d5789669bc8ffa6a4d10527284d_229_Mg1Mn6

[ "O", "Ru" ]

3

A2B

O2Ru

O2 Ru1

2

[ 1, 1, 1 ]

3

[ [ 0, 2.409886482, 2.409886482 ], [ 2.409886482, 0, 2.409886482 ], [ 2.409886482, 2.409886482, 0 ] ]

oqmd-5435351

[ [ 1.204939999999999, 1.204939999999999, 1.204939999999999 ], [ 3.6148300000000018, 3.6148300000000018, 3.6148300000000018 ], [ 0, 0, 0 ] ]

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

[ "O", "O", "Ru" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 62.05468763, 0, 0 ], [ 0, 62.05468763, 0 ], [ 0, 0, 62.05468763 ] ]

-21.5004

[ 0.001, 0.001, -0.001 ]

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

-0.009732

null

pbe

false

41c831778e6d8535ba7d6900bdb207c7_225_Ru1O2

[ "Co", "Ga", "Pr", "Sm" ]

4

ABCD

CoGaPrSm

Pr1 Sm1 Ga1 Co1

4

[ 1, 1, 1 ]

3

[ [ 4.301191, 0, 0 ], [ 0, 4.17474031, 0 ], [ -2.1505955, 0, 5.27457294 ] ]

agm005207884

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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Pr", "Sm", "Ga", "Co" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.9515854, 0, 0 ], [ 0, 1.8666321, 0 ], [ 0, 0, 1.9468096 ] ]

-20.814856

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00224778 ], [ 0, 0, -0.00409391 ], [ 0, 0, 0.00372258 ], [ 0, 0, -0.00187645 ] ]

0.000015

4.152708

pbe

true

a452fe41ae0013b9a9312025f0e87a1a_38_Pr1Sm1Ga1Co1

[ "Cu", "N", "Np", "Sb" ]

8

ABCD

CuNNpSb

Np2 Cu2 Sb2 N2

4

[ 1, 1, 1 ]

3

[ [ 3.91020839, 0, 0 ], [ 0, 3.91020839, 0 ], [ 0, 0, 9.26397582 ] ]

agm005203685

[ [ 1.955104195, 0, 5.74195015383596 ], [ 0, 1.955104195, 3.5220256661640406 ], [ 1.955104195, 1.955104195, 0 ], [ 0, 0, 0 ], [ 0, 1.955104195, 7.506344662331434 ], [ 1.955104195, 0, 1.7576311576685666 ], [ 0, 0, 4.63198791 ], [ 1.955104195, 1.955104195, 4.63198791 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Np", "Np", "Cu", "Cu", "Sb", "Sb", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -0.31854236, 0, 0 ], [ 0, -0.31854236, 0 ], [ 0, 0, -0.25314954 ] ]

-63.895999

[ 2.914, 2.914, -0.046, -0.046, -0.076, -0.076, -0.181, -0.181 ]

[ [ 0, 0, -0.00507085 ], [ 0, 0, 0.00507085 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00213499 ], [ 0, 0, -0.00213499 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

5.239587

14.532651

pbe

true

c2833f2d828bfd28c4f10bf59371ee45_129_Np2Cu2Sb2N2

[ "Gd", "Hg", "Mg", "Nd" ]

4

ABCD

GdHgMgNd

Nd1 Gd1 Mg1 Hg1

4

[ 1, 1, 1 ]

3

[ [ 5.39628088, 0, 0 ], [ 2.69814044, 4.67331632, 0 ], [ 2.69814044, 1.55777211, 4.40604488 ] ]

agm001401244

[ [ 5.39628088, 3.115544215, 2.20302244 ], [ 2.69814044, 1.5577721075, 1.10151122 ], [ 8.09442132, 4.6733163225, 3.3045336599999997 ], [ 0, 0, 0 ] ]

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

[ "Mg", "Gd", "Nd", "Hg" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.5583944, 0, 0 ], [ 0, 2.5583944, 0 ], [ 0, 0, 2.5583944 ] ]

-21.877391

[ 0.002, -7.242, -0.175, -0.017 ]

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

-7.98687

4.468954

pbe

true

f5dabe9129232649ba0fb6dae4bb4ea8_216_Nd1Gd1Mg1Hg1

[ "Al", "Li", "Sn", "Y" ]

12

A2B2CD

AlLi2Sn2Y

Li4 Y2 Al2 Sn4

4

[ 1, 1, 1 ]

3

[ [ 4.43717236, 0, 0 ], [ 0, 7.34907245, 0 ], [ 0, 0, 8.45276007 ] ]

agm004737965

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

[ "Li", "Li", "Li", "Li", "Y", "Y", "Al", "Al", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

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[ "C", "Ce", "H", "O", "Rb" ]

74

A17B12C4D3E

C3CeH12O17Rb4

C6 Ce2 H24 O34 Rb8

5

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mp-1179935

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[ "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Ce", "Ce", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-11 09:16:50

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3.304

0.176039

pbe

true

eb6ade8341d061f3f7ee7be5662d0b73_2_Rb8Ce2H24C6O34

[ "As", "Dy", "Tm", "Y" ]

8

A4B2CD

As4DyTm2Y

Dy1 Y1 Tm2 As4

4

[ 1, 1, 1 ]

3

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agm004817723

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[ "Dy", "Y", "Tm", "Tm", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.5, 0.125, 0.25, 0.125 ]

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-50.814821

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0

1.064116

pbe

true

533887d7e0cc68bb1e13f2a0791a61dc_10_Dy1Y1Tm2As4

[ "Mo", "Sn", "Ti" ]

16

A5B2C

Mo2SnTi5

Ti10 Sn2 Mo4

3

[ 1, 1, 1 ]

3

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agm003477159

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[ "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Sn", "Sn", "Mo", "Mo", "Mo", "Mo" ]

2023-11-16 06:57:59

[ 0.25, 0.125, 0.625 ]

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0.000034

16.85521

pbe

true

1fba6dbf86406e66a3303b3c13e4b6e6_140_Ti10Sn2Mo4

[ "Au", "Be", "F", "O" ]

5

A2BCD

AuBeFO2

Be1 Au1 O2 F1

4

[ 1, 1, 1 ]

3

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agm001740708

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

[ "Be", "Au", "O", "O", "F" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 1.3095217, 0, 0 ], [ 0, 1.3095217, 0 ], [ 0, 0, 1.9300418 ] ]

-22.813497

[ -0.003, 0.111, 0.118, 0.118, 0.002 ]

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

0.378893

2.845182

pbe

true

249141b146791622285911e72515051b_123_Be1Au1O2F1

[ "Bi", "Co", "O", "Pa" ]

12

A8B2CD

BiCoO8Pa2

Pa2 Co1 Bi1 O8

4

[ 1, 1, 1 ]

3

[ [ 5.40169997, -5.4e-7, 0 ], [ 5.4e-7, 5.40169997, 0 ], [ -2.70085025, -2.70084972, 5.47587072 ] ]

agm004897370

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

[ "Pa", "Pa", "Co", "Bi", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.08333333333333333, 0.6666666666666666, 0.16666666666666666 ]

[ [ 0.21948811, -0.00000196, 0 ], [ 0.00000196, 0.21948811, 0 ], [ 0, 0, 0.3516986 ] ]

-97.665167

[ 0.034, 0.049, 3.046, 0.007, 0.151, 0.151, 0.018, 0.018, 0.018, 0.018, 0.151, 0.151 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00169072, -0.00244782, 0.00121057 ], [ 0.00169072, 0.00244782, 0.00121057 ], [ -0.00251916, -0.00001073, -0.00096018 ], [ 0.00251916, 0.00001073, -0.00096018 ], [ -0.00001073, 0.00251916, 0.00096018 ], [ 0.00001073, -0.00251916, 0.00096018 ], [ 0.00244782, -0.00169072, -0.00121057 ], [ -0.00244782, 0.00169072, -0.00121057 ] ]

3.994924

-0.014948

pbe

true

895e3877004865e88616cf183d34e370_82_Pa2Co1Bi1O8

[ "Cr", "Ru", "Tc", "V" ]

4

ABCD

CrRuTcV

V1 Cr1 Tc1 Ru1

4

[ 1, 1, 1 ]

3

[ [ 4.24885485, 0, 0 ], [ 2.12442743, 3.67961624, 0 ], [ 2.12442743, 1.22653875, 3.46917546 ] ]

agm001314841

[ [ 2.1244274274999997, 1.2265387475, 0.867293865 ], [ 0, 0, 0 ], [ 6.373282282499999, 3.6796162425000003, 2.601881595 ], [ 4.248854854999999, 2.453077495, 1.73458773 ] ]

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

[ "Ru", "V", "Tc", "Cr" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.64841, 0, 0 ], [ 0, 5.64841, 0 ], [ 0, 0, 5.64841 ] ]

-38.709244

[ 0.016, 0.382, -0.265, 1.571 ]

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

1.79098

5.719376

pbe

true

594bb0ca99f9d3fb086c15edba4690a2_216_V1Cr1Tc1Ru1

[ "Cs", "Hg", "Pb", "Se" ]

5

A2BCD

CsHgPbSe2

Cs1 Hg1 Pb1 Se2

4

[ 1, 1, 1 ]

3

[ [ 5.9482928, 0, 0 ], [ 0, 6.75057334, 0 ], [ 0, 0, 5.9482928 ] ]

agm001556437

[ [ 0, 3.37528667, 0 ], [ 0, 0, 0 ], [ 2.9741464, 3.37528667, 2.9741464 ], [ 0, 0, 2.9741464 ], [ 2.9741464, 0, 0 ] ]

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

[ "Pb", "Cs", "Hg", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 2.3046994, 0, 0 ], [ 0, 1.8589151, 0 ], [ 0, 0, 2.3046994 ] ]

-7.719675

[ 0, 0, 0, 0, 0 ]

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

0.00024

5.580561

pbe

true

865c02eaabcf8e45774492bbc8b24891_123_Cs1Hg1Pb1Se2

[ "Cu", "Rh", "Te", "Tl" ]

5

A2BCD

CuRh2TeTl

Tl1 Cu1 Te1 Rh2

4

[ 1, 1, 1 ]

3

[ [ 5.04916792, 0, 0 ], [ 0, 5.60140421, 0 ], [ 0, 0, 5.04916792 ] ]

agm001602918

[ [ 0, 0, 0 ], [ 0, 2.800702105, 0 ], [ 0, 0, 2.52458396 ], [ 2.52458396, 0, 0 ], [ 2.52458396, 2.800702105, 2.52458396 ] ]

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

[ "Tl", "Te", "Rh", "Rh", "Cu" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.08185379, 0, 0 ], [ 0, -0.6751868, 0 ], [ 0, 0, 0.08185379 ] ]

-16.446161

[ -0.012, 0.057, 0.803, 0.607, -0.003 ]

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

1.551942

7.848417

pbe

true

9474c3c4714f186a2ee8ceb2618684fe_123_Tl1Cu1Te1Rh2

[ "F", "I", "O", "Sm" ]

14

A4BCD

FIO4Sm

Sm2 I2 O8 F2

4

[ 1, 1, 1 ]

3

[ [ 6.06192906, -0.22553338, -0.2788351 ], [ 1.79516257, 5.7944146, -0.2788351 ], [ 1.26298216, 0.89516554, 6.60310393 ] ]

agm005047194

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

[ "Sm", "Sm", "I", "I", "O", "O", "O", "O", "O", "O", "O", "O", "F", "F" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]

[ [ 1.25142, -0.00015914, 0.19107959 ], [ -0.00015914, 1.2515318, 0.13543174 ], [ 0.19107968, 0.1354318, 1.3642732 ] ]

-79.04395

[ 0.02, 0.02, 0.116, 0.116, 0.342, 0.342, 0.041, 0.253, 0.041, 0.041, 0.253, 0.041, 0.017, 0.017 ]

[ [ 0.00228608, 0.00162031, -0.00280244 ], [ -0.00228608, -0.00162031, 0.00280244 ], [ -0.00091928, -0.00065156, 0.00096039 ], [ 0.00091928, 0.00065156, -0.00096039 ], [ 0.00160231, 0.00113567, 0.00089934 ], [ -0.00160231, -0.00113567, -0.00089934 ], [ -0.00167828, -0.00037442, -0.0004769 ], [ -0.00076991, -0.00054569, 0.00020717 ], [ 0.0009092, 0.00145951, 0.0004769 ], [ -0.0009092, -0.00145951, -0.0004769 ], [ 0.00076991, 0.00054569, -0.00020717 ], [ 0.00167828, 0.00037442, 0.0004769 ], [ -0.00050713, -0.00035944, 0.00202964 ], [ 0.00050713, 0.00035944, -0.00202964 ] ]

2.003904

0.086529

pbe

true

8463405c65f85845bd8770263f78ac28_12_Sm2I2O8F2

[ "Ho", "Li", "Tb", "Te" ]

16

A8B4C3D

Ho3Li4TbTe8

Li4 Tb1 Ho3 Te8

4

[ 1, 1, 1 ]

3

[ [ 8.67014148, 0, 0 ], [ 0, 8.65976528, -0.0180314 ], [ -4.33507074, -4.33235032, 6.13110387 ] ]

agm004731805

[ [ 4.33507074, 0, 0 ], [ 2.16753537, -2.16617516, 3.065551935 ], [ 0, 0, 0 ], [ -2.16753537, -2.16617516, 3.065551935 ], [ 0, 4.32988264, -0.0090157 ], [ 4.33507074, 4.32988264, -0.0090157 ], [ 2.16753537, 2.1637074800000002, 3.056536235 ], [ -2.16753537, 2.1637074800000002, 3.056536235 ], [ 2.1790406477439603, 6.52591295664524, 0.003153654384673601 ], [ 2.162198951307687e-16, 4.348227232182148, 3.084853654136623 ], [ 9.238821253395315e-17, -0.02281160419542871, 3.0429611591300376 ], [ 6.4911008322560395, 6.52591295664524, 0.003153654384673601 ], [ -2.15603009225604, -2.19849799664524, 6.109918815615326 ], [ 4.33507074, 4.350226564195428, 3.0701113108699616 ], [ 4.335070739999999, -0.020812272182147137, 3.028218815863377 ], [ 2.15603009225604, -2.19849799664524, 6.109918815615326 ] ]

[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Li", "Li", "Li", "Li", "Tb", "Ho", "Ho", "Ho", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.1875, 0.25, 0.0625, 0.5 ]

[ [ 0.15927692, 0, 0 ], [ 0, 0.1087828, -0.0016824 ], [ 0, -0.00168243, 0.18265752 ] ]

-71.771354

[ 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 ], [ -0.00010495, 0.00205834, -0.00271676 ], [ 0, 0.00218888, -0.00272685 ], [ 0, -0.00226488, 0.00262626 ], [ 0.00010495, 0.00205834, -0.00271676 ], [ -0.00010495, -0.00205834, 0.00271676 ], [ 0, 0.00226488, -0.00262626 ], [ 0, -0.00218888, 0.00272685 ], [ 0.00010495, -0.00205834, 0.00271676 ] ]

0

-0.02096

pbe

true

4fe8b1bfcb3f7ca37b3c39dc1bd1c45e_166_Li4Tb1Ho3Te8

[ "B", "Bi", "C" ]

5

A3BC

B3BiC

Bi1 B3 C1

3

[ 1, 1, 1 ]

3

[ [ 3.81308253, 0, 0 ], [ 0, 3.81308253, 0 ], [ 0, 0, 3.81308253 ] ]

agm002412008

[ [ 0, 0, 0 ], [ 0, 1.906541265, 0 ], [ 0, 0, 1.906541265 ], [ 1.906541265, 0, 0 ], [ 1.906541265, 1.906541265, 1.906541265 ] ]

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

[ "C", "B", "B", "B", "Bi" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ -1.8293018, 0, 0 ], [ 0, -1.8293018, 0 ], [ 0, 0, -1.8293018 ] ]

-23.126685

[ 0, 0, 0, 0, 0 ]

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

0

1.014229

pbe

true

d3817a6b39d1f3a34645e71b14b6f6e5_221_Bi1B3C1

[ "Pu", "Te", "Y" ]

4

A2BC

PuTeY2

Y2 Pu1 Te1

3

[ 1, 1, 1 ]

3

[ [ 3.83009792, 0, 0 ], [ 0, 3.83009792, 0 ], [ 0, 0, 7.76724025 ] ]

agm001123113

[ [ 0, 0, 5.661815058099008 ], [ 0, 0, 2.1054251919009928 ], [ 1.91504896, 1.91504896, 3.883620125 ], [ 1.91504896, 1.91504896, 0 ] ]

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

[ "Y", "Y", "Te", "Pu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.4258075, 0, 0 ], [ 0, 2.4258075, 0 ], [ 0, 0, 2.38743 ] ]

-32.263035

[ 0.061, 0.061, 0.002, 5.522 ]

[ [ 0, 0, -0.00089998 ], [ 0, 0, 0.00089998 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

6.22342

7.829934

pbe

true

1f9adfd7c8f758c7441cd54a44556165_123_Y2Pu1Te1

[ "Ba", "Pr", "Ru" ]

4

A2BC

BaPr2Ru

Ba1 Pr2 Ru1

3

[ 1, 1, 1 ]

3

[ [ 4.25213332, 0, 0 ], [ 2.12606666, 3.68245547, 0 ], [ 2.12606666, 1.22748516, 9.75581985 ] ]

agm005106915

[ [ 4.2521333412606666, 2.4549703272658365, 4.85152628579766 ], [ 2.1260666387393337, 1.227485147232064, 8.312686686593604 ], [ 2.126066638739334, 1.227485144890814, 1.4604424267752587 ], [ 4.25213119393334, 2.4549690858512734, 0.009064522455429 ] ]

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

[ "Ba", "Pr", "Pr", "Ru" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.1663183, 0, 0 ], [ 0, 1.1663183, 0 ], [ 0, 0, 1.3746169 ] ]

-20.925111

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00374883 ], [ 0, 0, 0.0032479 ], [ 0, 0, 0.00173273 ], [ 0, 0, -0.0012318 ] ]

0.000178

2.807297

pbe

true

4f5e41b688de42cc84a392e69b6982d6_160_Ba1Pr2Ru1

[ "H", "Pu", "Sm" ]

6

A4BC

H4PuSm

Sm1 Pu1 H4

3

[ 1, 1, 1 ]

3

[ [ 3.77290661, 0.00005208, 0.00148505 ], [ -0.00007993, 3.77293457, 0.00222569 ], [ -0.00209923, -0.00320226, 5.3264881 ] ]

agm005836618

[ [ 1.88920037918864, 1.8730460349752098, 5.31841609712467 ], [ 0.0037793546911699997, 3.76111858415747, 2.65555837330479 ], [ 1.890797684267309, 3.7618676811719527, 1.3385690530995036 ], [ 1.8897016172645806, 3.7603838766931266, 3.9739688167614258 ], [ 0.003302807927077601, 1.873804496059483, 3.9721054119787294 ], [ 0.004294323504582401, 1.875483000337517, 1.3368015988568402 ] ]

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

[ "Sm", "Pu", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 11.748207, -0.00008408, 0.00024295 ], [ -0.00008408, 11.7483835, 0.0002474 ], [ 0.00024295, 0.0002474, 11.1164055 ] ]

-35.514455

[ 0.02, 5.164, -0.014, -0.014, -0.014, -0.014 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00000208, -0.00000317, 0.00527009 ], [ 0.00000208, 0.00000317, -0.00527009 ], [ 0.00000208, 0.00000317, -0.00527009 ], [ -0.00000208, -0.00000317, 0.00527009 ] ]

5.467015

6.504216

pbe

true

5ea4bc393d39c9b587c353f350adf7f4_123_Sm1Pu1H4

[ "Ac", "O", "P", "Pt" ]

12

A8B2CD

AcO8P2Pt

Ac1 P2 Pt1 O8

4

[ 1, 1, 1 ]

3

[ [ 4.85871843, 0, 0 ], [ 2.42935922, 4.20777359, 0 ], [ 2.42935922, 1.4025912, 7.50528455 ] ]

agm004873649

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

[ "Ac", "P", "P", "Pt", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]

[ [ 0.5854411, 0, 0 ], [ 0, 0.5854411, 0 ], [ 0, 0, 0.839285 ] ]

-84.330248

[ 0.009, 0.006, 0.006, 0.682, 0.01, 0.01, 0.033, 0.033, 0.033, 0.033, 0.033, 0.033 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00424465 ], [ 0, 0, 0.00424465 ], [ 0, 0, 0 ], [ 0, 0, -0.00367217 ], [ 0, 0, 0.00367217 ], [ -0.00180171, 0.00220675, 0.0013294 ], [ -0.00101025, 0.0026637, -0.0013294 ], [ -0.00180171, -0.00220675, -0.0013294 ], [ 0.00281196, 0.00045695, 0.0013294 ], [ -0.00101025, -0.0026637, 0.0013294 ], [ 0.00281196, -0.00045695, -0.0013294 ] ]

1.001892

4.872876

pbe

true

e5db18596461b59c361e0a3cbffe366c_155_Ac1P2Pt1O8

[ "Ca", "Cr", "Re" ]

4

A2BC

Ca2CrRe

Ca2 Cr1 Re1

3

[ 1, 1, 1 ]

3

[ [ 5.02610328, 0, 0 ], [ 0, 2.75012657, 0.06833385 ], [ 0, 2.56263873, 5.54632732 ] ]

agm004301579

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

[ "Re", "Ca", "Ca", "Cr" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.7007775, 0, 0 ], [ 0, 3.668857, 0.25424504 ], [ 0, 0.25424623, 3.8297408 ] ]

-22.023994

[ -0.001, 0, 0, 0.003 ]

[ [ 0, 0, 0 ], [ 0, -0.00118613, 0.00448141 ], [ 0, 0.00118613, -0.00448141 ], [ 0, 0, 0 ] ]

0.001982

3.445621

pbe

true

cc4952816bca07cd664697b63b7d9859_47_Ca2Cr1Re1

[ "B", "Li", "Pb", "Pd" ]

4

ABCD

BLiPbPd

B1 Li1 Pb1 Pd1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.110774, 3.110774 ], [ 3.110774, 0, 3.110774 ], [ 3.110774, 3.110774, 0 ] ]

oqmd-2868244

[ [ 1.55538, 1.55538, 1.55538 ], [ 4.666160000000001, 4.666160000000001, 4.666160000000001 ], [ 3.110780000000001, 3.110780000000001, 3.110780000000001 ], [ 0, 0, 0 ] ]

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

[ "B", "Li", "Pb", "Pd" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 7.79945, 0, 0 ], [ 0, 7.79945, 0 ], [ 0, 0, 7.79945 ] ]

-15.6769

[ 0, 0, 0, 0 ]

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

null

pbe

true

f556acb6fd7556947ccd676397d94f54_216_Li1B1Pd1Pb1

[ "Ni", "Se" ]

12

AB

NiSe

Ni6 Se6

2

[ 1, 1, 1 ]

3

[ [ 13.08755152, -1.68049779, 0 ], [ -0.50927751, 3.50832809, 0 ], [ 0, 0, 18.40452814 ] ]

agm2000014030

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

[ "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ -1.3205404, -0.00960183, -0.00200347 ], [ -0.00960164, -1.3060158, -0.01735197 ], [ -0.00200351, -0.01735286, -2.3317466 ] ]

-56.870939

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

[ [ -0.00687168, -0.00049038, 0.00307934 ], [ -0.01989877, -0.00377634, 0.01841715 ], [ 0.00687168, 0.00049038, -0.00307934 ], [ 0.01989877, 0.00377634, -0.01841715 ], [ 0.00501751, 0.00101192, -0.00843688 ], [ -0.00501751, -0.00101192, 0.00843688 ], [ 0.00596506, 0.00160534, -0.00282165 ], [ 0.00082817, 0.000695, 0.00638727 ], [ -0.00596506, -0.00160534, 0.00282165 ], [ -0.00082817, -0.000695, -0.00638727 ], [ -0.0012809, -0.00082491, -0.006921 ], [ 0.0012809, 0.00082491, 0.006921 ] ]

0

9.887529

pbe

true

50dffe4ea2b3fc9a38d615419fe570a7_11_Ni6Se6

[ "C", "H", "Pd", "V" ]

5

A2BCD

CHPdV2

V2 H1 Pd1 C1

4

[ 1, 1, 1 ]

3

[ [ 3.67720146, 0, 0 ], [ 0, 3.74818618, 0 ], [ 0, 0, 3.67720146 ] ]

agm001567438

[ [ 0, 0, 0 ], [ 1.83860073, 1.87409309, 1.83860073 ], [ 0, 1.87409309, 0 ], [ 0, 0, 1.83860073 ], [ 1.83860073, 0, 0 ] ]

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

[ "H", "C", "Pd", "V", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -0.8312026, 0, 0 ], [ 0, 2.4957044, 0 ], [ 0, 0, -0.8312026 ] ]

-32.887666

[ 0, 0, 0, 0, 0 ]

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

0

3.168596

pbe

true

a0bf7c84d0a8a4ffc444191596f59bf6_123_V2H1Pd1C1

[ "Ga", "Sc", "Te" ]

18

A6B2C

GaSc2Te6

Sc4 Ga2 Te12

3

[ 1, 1, 1 ]

3

[ [ 6.77266502, 0, 0 ], [ 0, 6.77266502, 0 ], [ 0, 0, 12.62545663 ] ]

agm003486227

[ [ 3.38633251, 3.38633251, 4.299022145723943 ], [ 3.38633251, 3.38633251, 8.326434484276056 ], [ 0, 0, 2.0137061692760576 ], [ 0, 0, 10.611750460723943 ], [ 3.38633251, 3.38633251, 0 ], [ 0, 0, 6.312728315 ], [ 4.727044401040385, 4.727044401040385, 2.128675092403633 ], [ 4.727044401040385, 4.727044401040385, 10.496781537596368 ], [ 4.796568245630092, 4.796568245630092, 6.312728315 ], [ 5.362429284369908, 1.4102357356300927, 0 ], [ 5.431953128959615, 1.3407118910403855, 4.184053222596367 ], [ 5.431953128959615, 1.3407118910403855, 8.441403407403632 ], [ 1.3407118910403855, 5.431953128959615, 4.184053222596367 ], [ 1.3407118910403855, 5.431953128959615, 8.441403407403632 ], [ 1.4102357356300927, 5.362429284369908, 0 ], [ 1.976096774369907, 1.976096774369907, 6.312728315 ], [ 2.0456206189596142, 2.0456206189596142, 2.128675092403633 ], [ 2.0456206189596142, 2.0456206189596142, 10.496781537596368 ] ]

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

[ "Sc", "Sc", "Sc", "Sc", "Ga", "Ga", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.2222222222222222, 0.6666666666666666 ]

[ [ 0.760022, 0, 0 ], [ 0, 0.760022, 0 ], [ 0, 0, 0.69687015 ] ]

-78.175438

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

[ [ 0, 0, 0.00261896 ], [ 0, 0, -0.00261896 ], [ 0, 0, -0.00261896 ], [ 0, 0, 0.00261896 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00098328, -0.00098328, 0.00335 ], [ -0.00098328, -0.00098328, -0.00335 ], [ -0.00132871, -0.00132871, 0 ], [ 0.00132871, -0.00132871, 0 ], [ 0.00098328, -0.00098328, -0.00335 ], [ 0.00098328, -0.00098328, 0.00335 ], [ -0.00098328, 0.00098328, -0.00335 ], [ -0.00098328, 0.00098328, 0.00335 ], [ -0.00132871, 0.00132871, 0 ], [ 0.00132871, 0.00132871, 0 ], [ 0.00098328, 0.00098328, 0.00335 ], [ 0.00098328, 0.00098328, -0.00335 ] ]

-0.000152

18.63836

pbe

true

08f1448d0960d907f486352f793266ba_136_Sc4Ga2Te12

[ "Hg", "Ru", "Ta" ]

4

A2BC

Hg2RuTa

Ta1 Hg2 Ru1

3

[ 1, 1, 1 ]

3

[ [ 4.809433, 0, 0 ], [ 0, 2.89665103, -0.02719952 ], [ 0, 1.15989477, 5.28814195 ] ]

agm004392488

[ [ 0, 0.2166253390173918, 0.0386474174099596 ], [ 0, 1.8116475609826082, 2.5918237975900404 ], [ 2.4047165, 1.01413645, 1.3152356075 ], [ 2.4047165, 3.04240935, 3.9457068225 ] ]

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

[ "Hg", "Hg", "Ru", "Ta" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 7.2360687, 0, 0 ], [ 0, 7.007166, 0.25663504 ], [ 0, 0.25663462, 7.218761 ] ]

-19.695556

[ 0, 0, 0.684, -0.016 ]

[ [ 0, -0.00647409, 0.0021893 ], [ 0, 0.00647409, -0.0021893 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.685786

2.970803

pbe

true

e19b0ae91aa7ceabb27f40af747e9fab_10_Ta1Hg2Ru1

[ "Cd", "Hg", "Li", "Na" ]

10

A6B2CD

CdHg6LiNa2

Na2 Li1 Cd1 Hg6

4

[ 1, 1, 1 ]

3

[ [ 7.59223145, 1.11457175, -2.087185 ], [ -0.09694169, 7.27321183, 0.96204778 ], [ 2.74344126, 5.12651286, 4.39977145 ] ]

agm004928743

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

[ "Na", "Na", "Li", "Cd", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.1, 0.2 ]

[ [ 6.4723597, -1.1672972, -0.10056259 ], [ -1.1672972, 5.1318684, 0.18789028 ], [ -0.10056257, 0.18789013, 2.4650156 ] ]

-8.978968

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

[ [ 0.00004036, 0.00111226, 0.00323193 ], [ -0.00004036, -0.00111226, -0.00323193 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0095814, 0.00744861, 0.02507111 ], [ 0.01142282, -0.02452522, 0.00376876 ], [ -0.02871043, 0.01131174, 0.02017352 ], [ 0.0095814, -0.00744861, -0.02507111 ], [ -0.01142282, 0.02452522, -0.00376876 ], [ 0.02871043, -0.01131174, -0.02017352 ] ]

0

3.317565

pbe

true

6854541eb1a7d4b53cebac081d5c512c_2_Na2Li1Cd1Hg6

[ "Sb", "W", "Y" ]

4

A2BC

SbW2Y

Y1 Sb1 W2

3

[ 1, 1, 1 ]

3

[ [ 4.58257921, 0, 0 ], [ 0, 3.36478331, 0.01007111 ], [ 0, 1.15730775, 5.342031 ] ]

agm003792207

[ [ 2.291289605, 3.873649283047533, 3.9656679565205737 ], [ 0, 3.0964747994853656, 0.2780972413191267 ], [ 2.291289605, 0.9535765409598829, 0.9163854162368644 ], [ 0, 2.2242193322298074, 2.8780736077045486 ] ]

[{"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": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Sb", "W", "W", "Y" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.245511, 0, 0 ], [ 0, 5.231089, 0.07457041 ], [ 0, 0.07457055, 5.2191086 ] ]

-35.282878

[ 0, 0, 0, 0 ]

[ [ 0, -0.00150868, 0.00008186 ], [ 0, -0.0096643, -0.01284776 ], [ 0, 0.01187018, 0.00481798 ], [ 0, -0.0006972, 0.00794792 ] ]

0

1.707296

pbe

true

6dbe40d0dd90c370d1d3aea6e268355e_6_Y1Sb1W2

[ "Au", "Eu", "Ge", "Pa" ]

4

ABCD

AuEuGePa

Eu1 Pa1 Ge1 Au1

4

[ 1, 1, 1 ]

3

[ [ 5.17244166, 0, 0 ], [ 2.58622083, 4.47946587, 0 ], [ 2.58622083, 1.49315529, 4.22328093 ] ]

agm001288167

[ [ 0, 0, 0 ], [ 2.58622083, 1.49315529, 1.0558202325 ], [ 5.17244166, 2.98631058, 2.111640465 ], [ 7.758662489999999, 4.47946587, 3.1674606974999997 ] ]

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

[ "Eu", "Ge", "Pa", "Au" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.6972142, 0, 0 ], [ 0, 1.6972142, 0 ], [ 0, 0, 1.6972142 ] ]

-29.056286

[ 6.878, -0.046, 1.334, 0.066 ]

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

8.959209

8.697043

pbe

true

06c978887406f32beae3c721fe62e470_216_Eu1Pa1Ge1Au1

[ "Co", "Cs", "O", "Sb" ]

5

A2BCD

CoCsO2Sb

Cs1 Co1 Sb1 O2

4

[ 1, 1, 1 ]

3

[ [ 4.28777087, 0, 0 ], [ 0, 6.88754121, 0 ], [ 0, 0, 4.28777087 ] ]

agm001582893

[ [ 0, 0, 0 ], [ 2.143885435, 3.443770605, 2.143885435 ], [ 0, 3.443770605, 0 ], [ 0, 0, 2.143885435 ], [ 2.143885435, 0, 0 ] ]

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

[ "Cs", "Sb", "Co", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 1.2195872, 0, 0 ], [ 0, 2.648838, 0 ], [ 0, 0, 1.2195872 ] ]

-15.062221

[ 0.006, -0.296, 2.431, -0.078, -0.085 ]

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

1.570283

2.564902

pbe

true

45c80fdedd9b865469486471840f7e31_123_Cs1Co1Sb1O2

[ "Ge", "O", "Re", "Te" ]

5

A2BCD

Ge2OReTe

Re1 Ge2 Te1 O1

4

[ 1, 1, 1 ]

3

[ [ 4.25638012, 0, 0 ], [ 0, 4.66130153, 0 ], [ 0, 0, 4.25638012 ] ]

agm001552174

[ [ 2.12819006, 2.330650765, 2.12819006 ], [ 0, 0, 2.12819006 ], [ 2.12819006, 0, 0 ], [ 0, 2.330650765, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Re", "Ge", "Ge", "Te", "O" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ -4.4967422, 0, 0 ], [ 0, -1.2571924, 0 ], [ 0, 0, -4.4967422 ] ]

-26.670476

[ 0.342, -0.009, -0.009, -0.008, -0.006 ]

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

0.341253

4.023551

pbe

true

9d822832d0992441de7e296fb79efa59_123_Re1Ge2Te1O1

[ "Ir", "Ni", "Rh", "Ru" ]

7

A2B2C2D

Ir2NiRh2Ru2

Ni1 Ir2 Ru2 Rh2

4

[ 1, 1, 1 ]

3

[ [ 2.6957406, 0, 0 ], [ -1.3478703, 7.36105937, -5.80592632 ], [ 0, -5.52475351, 9.46841293 ] ]

agm004556688

[ [ 0, -2.762376755, 4.734206465 ], [ 1.347868965608403, -0.13259581132676243, 1.3109813187193573 ], [ 0.0000013343915970738922, 1.9689016713267633, 2.3515052912806413 ], [ 1.347871634391597, 2.2954358184171415, 0.11122912817951854 ], [ -0.000001334391596926365, -0.45912995841714177, 3.5512574818204814 ], [ 1.3478689521297, -2.9985107406667644, 6.922490741629649 ], [ 0.0000013478703000490516, 4.834816600666765, -3.2600041316296493 ] ]

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

[ "Ni", "Ir", "Ir", "Ru", "Ru", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.2857142857142857, 0.2857142857142857 ]

[ [ -1.2341541, 0, 0 ], [ 0, -1.2826978, 0.13843414 ], [ 0, 0.13842905, -1.351145 ] ]

-55.285438

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

[ [ 0, 0, 0 ], [ 0, -0.00346786, -0.00168446 ], [ 0, 0.00346786, 0.00168446 ], [ 0, 0.00498905, -0.00289076 ], [ 0, -0.00498905, 0.00289076 ], [ 0, 0.00640859, -0.00391724 ], [ 0, -0.00640859, 0.00391724 ] ]

0.000492

8.71316

pbe

true

7512b584c45765d01f160d60fecc8949_12_Ni1Ir2Ru2Rh2

[ "Fe", "La", "Lu", "Zn" ]

4

ABCD

FeLaLuZn

La1 Lu1 Zn1 Fe1

4

[ 1, 1, 1 ]

3

[ [ 4.99328472, 0, 0 ], [ 2.49664236, 4.32431142, 0 ], [ 2.49664236, 1.44143714, 4.0769999 ] ]

agm001918809

[ [ 7.48992708, 4.32431142, 3.0577499249999995 ], [ 4.99328472, 2.88287428, 2.03849995 ], [ 2.49664236, 1.44143714, 1.019249975 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Zn", "Lu", "Fe", "La" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.1438541, 0, 0 ], [ 0, 2.1438541, 0 ], [ 0, 0, 2.1438541 ] ]

-19.309297

[ -0.02, -0.303, 1.98, -0.144 ]

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

1.309586

3.287172

pbe

true

51618d288d57176534a33707ad6ecc8f_216_La1Lu1Zn1Fe1

[ "Ni", "Te" ]

8

AB

NiTe

Ni4 Te4

2

[ 1, 1, 1 ]

3

[ [ 5.03023933, 0, 0 ], [ -7.3e-7, 10.00257273, 0 ], [ 0, 0, 15.00000204 ] ]

agm2000016984

[ [ 0.6499730337290868, 3.241432018446436, 7.500001170000021 ], [ 4.380265558748348, 8.242718383446437, 7.500001170000021 ], [ 2.515119560633916, 0.7407890359978905, 7.50000102 ], [ 2.5151194974482762, 5.742075400997892, 7.50000102 ], [ 3.126804327835285, 3.241432018446436, 7.500000419999918 ], [ 1.9034342646421418, 8.242718483472164, 7.499999819999837 ], [ 5.030239175331559, 0.740788535869254, 7.500001770000102 ], [ -2.6815651060000006e-7, 5.742075400997892, 7.500001920000122 ] ]

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

[ "Ni", "Ni", "Ni", "Ni", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ -0.99306035, 8e-8, 0 ], [ 8e-8, -1.0840597, 0 ], [ 0, 0, -1.5206908 ] ]

-32.359395

[ 0.362, 0.362, 0.391, 0.391, 0.132, 0.132, 0.148, 0.148 ]

[ [ 0.00289452, 0, 0 ], [ -0.00289452, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00385217, 0, 0 ], [ -0.00385217, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.49755

10.394543

pbe

true

ed35bf81cfd0184543f74d626c9ebb21_51_Ni4Te4

[ "As", "Co", "Sr" ]

17

A12B4C

As12Co4Sr

Sr1 Co4 As12

3

[ 1, 1, 1 ]

3

[ [ 7.27058656, 0, 0 ], [ -2.42352885, 6.85477475, 0 ], [ -2.42352885, -3.42738737, 5.93640907 ] ]

agm003590842

[ [ 0, 0, 0 ], [ -1.211764425, 3.427387375, 0 ], [ 3.63529328, 0, 0 ], [ 1.21176443, 1.71369369, 2.968204535 ], [ -1.211764425, -1.713693685, 2.968204535 ], [ 4.838577659821174, 1.719695180841631, 1.1308992253913166 ], [ 0.9233729776622317, 2.906001795093158, 0.9238441039001473 ], [ 3.9236848065998675, -1.1743140113620605, 3.8816597449353747 ], [ 0.008484947612135908, -1.5881557840669756, 5.012564966099853 ], [ -1.500155946599868, 4.60170139136206, 2.0547493250646247 ], [ 1.5001558823377688, 0.5213855849068417, 5.012564966099853 ], [ 2.432011351404231, -0.11953650791301423, 2.0547433886555546 ], [ -0.008482491404231218, 3.5469238879130143, 3.8816656813444452 ], [ 2.4150439123878638, 5.015543164066975, 0.9238441039001473 ], [ 3.3469018326447317, 2.7744589435447806, 2.9578156410352276 ], [ -0.9233753961735808, 0.6529250090678487, 2.978599365373842 ], [ -2.415046376292313, 1.707695626545749, 4.805515781017753 ] ]

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

[ "Sr", "Co", "Co", "Co", "Co", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.7058823529411765, 0.23529411764705882, 0.058823529411764705 ]

[ [ 0.62620145, 0, 0 ], [ 0, 0.62620145, 0 ], [ 0, 0, 0.62620145 ] ]

-92.18137

[ 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 ], [ -0.0002092, 0.00014793, -0.00168306 ], [ -0.00137421, -0.00026397, 0.00096964 ], [ 0.00137421, 0.00070775, 0.00071342 ], [ 0.0002092, -0.00138361, -0.00096964 ], [ -0.00137421, -0.00070775, -0.00071342 ], [ 0.00137421, 0.00026397, -0.00096964 ], [ 0.0002092, 0.00153153, -0.00071342 ], [ -0.0002092, -0.00153153, 0.00071342 ], [ -0.0002092, 0.00138361, 0.00096964 ], [ -0.00137421, 0.00097171, -0.00025622 ], [ 0.00137421, -0.00097171, 0.00025622 ], [ 0.0002092, -0.00014793, 0.00168306 ] ]

0.000795

8.870531

pbe

true

2e9ed6ded3f43643d58a33292f7629cc_204_Sr1Co4As12

[ "Au", "Mg", "Tm" ]

3

ABC

AuMgTm

Au1 Mg1 Tm1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.397844, 3.397844 ], [ 3.397844, 0, 3.397844 ], [ 3.397844, 3.397844, 0 ] ]

oqmd-3389609

[ [ 1.698919999999997, 1.698919999999997, 1.698919999999997 ], [ 5.096769999999999, 5.096769999999999, 5.096769999999999 ], [ 0, 0, 0 ] ]

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

[ "Au", "Mg", "Tm" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 8.46791, 0, 0 ], [ 0, 8.46791, 0 ], [ 0, 0, 8.46791 ] ]

-9.20064

[ 0, 0, 0 ]

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

-0.000659

null

pbe

true

4fe96f0fffcc1079f304ee98068509a9_216_Tm1Mg1Au1

[ "Ir", "N", "Se", "W" ]

5

A2BCD

IrN2SeW

Ir1 W1 Se1 N2

4

[ 1, 1, 1 ]

3

[ [ 3.70534826, 0, 0 ], [ 0, 3.70534826, 0 ], [ 0, 0, 7.89897281 ] ]

agm001736281

[ [ 0, 0, 0 ], [ 0, 0, 3.949486405 ], [ 1.85267413, 1.85267413, 3.949486405 ], [ 0, 1.85267413, 0 ], [ 1.85267413, 0, 0 ] ]

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

[ "Ir", "Se", "W", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.07701054, 0, 0 ], [ 0, 0.07701054, 0 ], [ 0, 0, 0.55797845 ] ]

-35.030817

[ -0.026, -0.057, 2.406, 0.145, 0.145 ]

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

3.480476

3.940686

pbe

true

ef8bc79098cbb39e947d9ea968e9fc9c_123_Ir1W1Se1N2

[ "Ba", "Na", "Pt", "Rh" ]

10

A6B2CD

Ba6Na2PtRh

Ba6 Na2 Pt1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 8.85581642, -0.00040418, -0.00112008 ], [ -0.0004092, 8.85581561, -0.00136293 ], [ -4.43124944, -4.43110871, 6.2681688 ] ]

agm004937199

[ [ 2.187013628980473, 2.192793126713746, 6.260787785292543 ], [ 4.427091335263913, 4.431018769432507, 3.0949586440226726 ], [ -2.1939837788856145, -2.1905799012522986, 6.2667580532102045 ], [ 2.1885894896567666, -2.1896047522510393, 6.263099181663453 ], [ -0.0031043045920433983, 0.0020054376508271484, 3.1614999696812824 ], [ -2.1953412749427192, 2.192007809783835, 6.263761812963113 ], [ 4.425913208888751, 0.002456756471387466, 3.142532222132096 ], [ -0.0018579219176643764, 4.430361989821799, 3.142388976509735 ], [ 4.424772430496726, -4.426870325918786, 6.261746598500839 ], [ -0.003938547928194824, 0.0005401079582500613, 6.262625620924243 ] ]

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

[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Na", "Na", "Pt", "Rh" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.1, 0.1 ]

[ [ 0.82594323, -0.00287934, 0.0160813 ], [ -0.00287939, 0.8264761, 0.016417 ], [ 0.01608127, 0.01641698, 0.8237975 ] ]

-30.24525

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

[ [ -0.00116278, -0.00110589, 0.00136728 ], [ 0.00039452, 0.00047738, 0.00080991 ], [ 0.00080834, 0.00087744, 0.00318658 ], [ -0.00096362, 0.00078773, 0.00263006 ], [ -0.00021621, -0.00016789, 0.0032558 ], [ 0.00067917, -0.0009203, 0.00266937 ], [ -0.00001965, 0.00011904, -0.00819768 ], [ 0.00015559, -0.00011438, -0.00820195 ], [ -0.0005049, -0.00046679, 0.00252564 ], [ 0.00082953, 0.00051366, -0.00004501 ] ]

0.000004

7.354668

pbe

true

44f9b76ef564398d393cda83c25fe620_107_Ba6Na2Pt1Rh1

[ "Ca", "Mn", "Te" ]

4

A2BC

CaMnTe2

Ca1 Mn1 Te2

3

[ 1, 1, 1 ]

3

[ [ 2.78028681, 0, 8.31144935 ], [ -1.3901434, 2.40779901, 8.31144935 ], [ -1.3901434, -2.40779901, 8.31144935 ] ]

agm002759082

[ [ 5.00000019165725e-9, 0, 12.467174025 ], [ 8.978978889066405e-9, -5.901435144896823e-17, 22.388498003933652 ], [ 1.0210213192511817e-9, 9.162548346727206e-18, 2.5458500460663465 ], [ 0, 0, 0 ] ]

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

[ "Ca", "Te", "Te", "Mn" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.43678886, 0, 0 ], [ 0, 0.43678886, 0 ], [ 0, 0, 0.6119717 ] ]

-19.476259

[ 0.023, 0.027, 0.027, 4.281 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00272184 ], [ 0, 0, 0.00272184 ], [ 0, 0, 0 ] ]

5.000028

0.015066

pbe

true

7fe05d17dc6a1f0ccf2462dacc554819_166_Ca1Mn1Te2

[ "Cd", "Mg", "Tb" ]

8

A5B2C

Cd2MgTb5

Cd2 Mg1 Tb5

3

[ 1, 1, 1 ]

3

[ [ 5.444371147, 0, 0 ], [ 0, 3.465887769, 5.826823402 ], [ 0, -3.465887769, 5.826823402 ] ]

oqmd-6810191

[ [ 0, -9.158743467005867e-17, 3.92092 ], [ 2.722189999999999, -3.743771312397762e-16, 7.72995 ], [ 0, -4.200012249022306e-16, 9.78117 ], [ 2.722189999999999, 1.71745, 4.71893 ], [ 2.722189999999999, -8.865548274764949e-17, 1.9261600000000003 ], [ 0, 1.67626, 6.909270000000001 ], [ 2.722189999999999, -1.71745, 4.71893 ], [ 0, -1.6762600000000003, 6.909270000000001 ] ]

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

[ "Cd", "Cd", "Mg", "Tb", "Tb", "Tb", "Tb", "Tb" ]

2024-11-01 00:00:00

[ 0.25, 0.125, 0.625 ]

[ [ 5.12103788, 0, 0 ], [ 0, 8.35340138, 0 ], [ 0, 0, 6.03198098 ] ]

-27.4487

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

[ [ 0, 0, -0.002315 ], [ 0, 0, -0.049639 ], [ 0, 0, 0.015825 ], [ 0, 0.025504, -0.013808 ], [ 0, 0, 0.021417 ], [ 0, -0.003478, 0.021163 ], [ 0, -0.025504, -0.013808 ], [ 0, 0.003478, 0.021163 ] ]

0.015932

null

pbe

true

2cc7dd072c927d9bb1756fc15972d7f8_38_Tb5Mg1Cd2

[ "Cr", "Dy", "Ga" ]

8

A2BC

CrDyGa2

Dy2 Cr2 Ga4

3

[ 1, 1, 1 ]

3

[ [ 4.36766203, -0.05585588, 0 ], [ -2.11090958, 5.36469001, 0 ], [ 0, 0, 6.53359959 ] ]

agm002266489

[ [ 2.2286155134701566, 3.0894470880166516, 1.6333998975 ], [ 0.028130071012256147, 2.21937533347795, 4.900199692499999 ], [ 0.055704286581793744, 3.992043550145647, 2.897933016307329 ], [ 2.2010509122046686, 1.3167935338104664, 3.6356714738923634 ], [ 2.2010509122046686, 1.3167935338104664, 6.164727911107636 ], [ 0.055704286581793744, 3.992043550145647, 0.368866778692671 ], [ 0.00943942034076341, 0.8226562471295816, 1.6333998975 ], [ 2.2473164874043836, 4.486178372420481, 4.900199692499999 ] ]

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

[ "Cr", "Cr", "Ga", "Ga", "Ga", "Ga", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.9510722, 0.05942425, 0 ], [ 0.05942486, 3.7919457, 0 ], [ 0, 0, 3.601468 ] ]

-42.957692

[ 3.097, 3.097, -0.058, -0.058, -0.056, -0.056, -0.093, -0.093 ]

[ [ 0.00196834, -0.00061173, 0 ], [ -0.00196305, 0.0008727, 0 ], [ 0.00487513, -0.00200075, 0.00063497 ], [ -0.00487994, 0.00191525, -0.00079143 ], [ -0.00487994, 0.00191525, 0.00079143 ], [ 0.00487513, -0.00200075, -0.00063497 ], [ -0.00006048, -0.00148076, 0 ], [ 0.0000648, 0.0013908, 0 ] ]

6.223274

4.983102

pbe

true

f8533f8a830866d0082b2a85d2705a0a_11_Dy2Cr2Ga4

[ "Dy", "Tm", "Zr" ]

30

A12B2C

Dy12Tm2Zr

Dy24 Tm4 Zr2

3

[ 1, 1, 1 ]

3

[ [ 6.48796324, -1.44007989, 0.13140594 ], [ -1.44007989, 6.48796325, 0.13140591 ], [ 0.63837791, 0.63837881, 23.23080289 ] ]

agm005795063

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

[ "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Tm", "Tm", "Tm", "Tm", "Zr", "Zr" ]

2023-11-16 06:57:59

[ 0.8, 0.13333333333333333, 0.06666666666666667 ]

[ [ 0.5034874, -0.0271304, 0.00847343 ], [ -0.0271304, 0.5034874, 0.00847345 ], [ 0.00847344, 0.00847346, 0.46794078 ] ]

-141.944471

[ 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 ]

[ [ 0.00047065, 0.00131051, -0.00944885 ], [ 0.00131051, 0.00047065, -0.00944885 ], [ 0.00279644, 0.00087993, -0.00532468 ], [ 0.00042978, 0.00042978, -0.0055845 ], [ -0.00113545, -0.00155201, 0.01260067 ], [ -0.00042978, -0.00042978, 0.0055845 ], [ 0.00000713, 0.00000713, -0.01163592 ], [ -0.00155201, -0.00113545, 0.01260067 ], [ 0.00087993, 0.00279644, -0.00532468 ], [ -0.00279644, -0.00087993, 0.00532468 ], [ 0.00061669, 0.00163984, -0.00896696 ], [ -0.00000713, -0.00000713, 0.01163592 ], [ 0.00155201, 0.00113545, -0.01260067 ], [ -0.00061669, -0.00163984, 0.00896696 ], [ -0.00087993, -0.00279644, 0.00532468 ], [ -0.00163984, -0.00061669, 0.00896696 ], [ 0.00163984, 0.00061669, -0.00896696 ], [ -0.00047065, -0.00131051, 0.00944885 ], [ 0.00011665, 0.00011664, -0.00602504 ], [ 0.00113545, 0.00155201, -0.01260067 ], [ 0.00062801, 0.00062801, -0.00297708 ], [ -0.00131051, -0.00047065, 0.00944885 ], [ -0.00011665, -0.00011664, 0.00602504 ], [ -0.00062801, -0.00062801, 0.00297708 ], [ -0.00196698, -0.00196698, 0.01091769 ], [ -0.0027665, -0.0027665, 0.01075179 ], [ 0.00196698, 0.00196698, -0.01091769 ], [ 0.0027665, 0.0027665, -0.01075179 ], [ -0.00280293, -0.00280293, 0.0008592 ], [ 0.00280293, 0.00280293, -0.0008592 ] ]

0.000002

45.38626

pbe

true

92d2213bd93f697850fadb2c04d6e13d_12_Dy24Tm4Zr2

[ "Mn", "Mo", "Nb", "Re" ]

4

ABCD

MnMoNbRe

Mn1 Nb1 Re1 Mo1

4

[ 1, 1, 1 ]

3

[ [ 4.42154512, 0, 0 ], [ 2.21077256, 3.8291704, 0 ], [ 2.21077256, 1.27639013, 3.61017647 ] ]

agm001397706

[ [ 2.21077256, 1.2763901325, 0.9025441175 ], [ 4.42154512, 2.552780265, 1.805088235 ], [ 6.63231768, 3.8291703975, 2.7076323525 ], [ 0, 0, 0 ] ]

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

[ "Re", "Mo", "Mn", "Nb" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 6.085565, 0, 0 ], [ 0, 6.085565, 0 ], [ 0, 0, 6.085565 ] ]

-42.583529

[ 0.059, -0.257, 1.862, -0.308 ]

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

1.328734

3.852526

pbe

true

55b56c33823d009066feb44b853b2f9b_216_Mn1Nb1Re1Mo1

[ "F", "Li", "Tl" ]

12

A4BC

F4LiTl

F4 Li1 Tl1

3

[ 1, 1, 1 ]

3

[ [ 3.374280939, -5.21325962, 0 ], [ 3.374280939, 5.21325962, 0 ], [ -3.22044156, 0, 3.681871752 ] ]

oqmd-8896229

[ [ 3.9350800000000015, 3.0384400000000005, 0.5287299999999999 ], [ 1.1227200000000002, 0.39767999999999987, 0.75971 ], [ 4.01562, 0.3976799999999992, 1.08122 ], [ 1.2032599999999998, 3.0384399999999996, 1.3122 ], [ 2.32486, -3.0384399999999996, 2.3696699999999997 ], [ -0.4874999999999999, -0.3976799999999998, 2.60065 ], [ 2.4054, -0.397679999999999, 2.92216 ], [ -0.40695999999999966, -3.03844, 3.15314 ], [ 2.56917, 4.17789, 0.92047 ], [ 0.9589500000000002, -4.17789, 2.7614 ], [ 2.56917, -1.34899, 0.92047 ], [ 0.9589500000000002, 1.3489900000000004, 2.7614 ] ]

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

[ "F", "F", "F", "F", "F", "F", "F", "F", "Li", "Li", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 133.68578504, 0, 2.01355203 ], [ 0, 141.07537051, 0 ], [ 2.01355203, 0, 141.83326782 ] ]

-49.3305

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

[ [ -0.017024, -0.010311, 0.022664 ], [ -0.053311, -0.02988, 0.027361 ], [ 0.053311, -0.02988, -0.027361 ], [ 0.017024, -0.010311, -0.022664 ], [ -0.017024, 0.010311, 0.022664 ], [ -0.053311, 0.02988, 0.027361 ], [ 0.053311, 0.02988, -0.027361 ], [ 0.017024, 0.010311, -0.022664 ], [ 0, 0.056229, 0 ], [ 0, -0.056229, 0 ], [ 0, 0.014184, 0 ], [ 0, -0.014184, 0 ] ]

null

pbe

false

d9741a2455a0bb2e8e440db4a24e95cb_15_Li2Tl2F8

[ "As", "Cd", "P" ]

3

ABC

AsCdP

Cd1 As1 P1

3

[ 1, 1, 1 ]

3

[ [ 6.10755097, 0.24099047, -0.00055523 ], [ 3.10469463, 5.2650856, 0.00055511 ], [ -3.75082475, -4.18404783, 2.40526889 ] ]

agm003910056

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

[ "As", "Cd", "P" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.133645, -0.08874116, -0.12031527 ], [ -0.08874116, 2.2290778, 0.20129357 ], [ -0.12031527, 0.20129357, 2.607322 ] ]

-9.879698

[ 0, 0, 0 ]

[ [ 0.00077741, 0.00046465, 0 ], [ -0.00133422, -0.00079745, 0 ], [ 0.00055681, 0.0003328, 0 ] ]

0

0.962437

pbe

true

21b528ac94615696d0c08277cf881f11_44_Cd1As1P1

[ "Au", "W", "Zr" ]

4

A2BC

Au2WZr

Zr1 W1 Au2

3

[ 1, 1, 1 ]

3

[ [ 3.59384856, 0, 0 ], [ 0, 3.59384856, 0 ], [ 0, 0, 5.71418244 ] ]

agm004314708

[ [ 0, 0, 0.037274469183486 ], [ 0, 0, 2.819816750816514 ], [ 1.79692428, 1.79692428, 1.42854561 ], [ 1.79692428, 1.79692428, 4.28563683 ] ]

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

[ "Au", "Au", "W", "Zr" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.6948795, 0, 0 ], [ 0, 5.6948795, 0 ], [ 0, 0, 5.9067707 ] ]

-27.52415

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.008251 ], [ 0, 0, 0.008251 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000004

2.601795

pbe

true

236b9593e1f0eccf5d814844da575e71_123_Zr1W1Au2

[ "Eu", "Hg", "K", "Sb" ]

4

ABCD

EuHgKSb

K1 Eu1 Hg1 Sb1

4

[ 1, 1, 1 ]

3

[ [ 5.67415932, 0, 0 ], [ 2.83707966, 4.91396612, 0 ], [ 2.83707966, 1.63798871, 4.63293169 ] ]

agm001398524

[ [ 8.51123898, 4.9139661225, 3.4746987675000005 ], [ 0, 0, 0 ], [ 2.83707966, 1.6379887075000001, 1.1582329225 ], [ 5.67415932, 3.2759774150000003, 2.316465845 ] ]

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

[ "Eu", "Sb", "K", "Hg" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.8694568, 0, 0 ], [ 0, 2.8694568, 0 ], [ 0, 0, 2.8694568 ] ]

-18.221328

[ -6.878, 0.052, -0.001, -0.004 ]

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

-6.999873

-0.84139

pbe

true

88afd01aea3c23301418bade00cbe8a5_216_K1Eu1Hg1Sb1

[ "Ac", "Be", "In" ]

4

A2BC

Ac2BeIn

Ac2 Be1 In1

3

[ 1, 1, 1 ]

3

[ [ 3.84075282, 0, 0 ], [ 1.92037641, 3.32618952, 0 ], [ 1.92037641, 1.10872984, 11.60460677 ] ]

agm002008365

[ [ 0, 0, 0 ], [ 1.920378311172646, 1.1087309376425416, 8.441058555934754 ], [ 5.761127328827354, 3.326188422357458, 3.1635482140652456 ], [ 3.84075282, 2.21745968, 5.802303385 ] ]

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

[ "Be", "Ac", "Ac", "In" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.3442005, 0, 0 ], [ 0, 0.3442005, 0 ], [ 0, 0, 0.2136245 ] ]

-12.046256

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00053841 ], [ 0, 0, -0.00053841 ], [ 0, 0, 0 ] ]

0.000025

4.555403

pbe

true

a5951302135852522e87fa58896d71b7_166_Ac2Be1In1

[ "Er", "Ga", "Li" ]

18

A4B4C

ErGa4Li4

Li8 Er2 Ga8

3

[ 1, 1, 1 ]

3

[ [ 5.84422602, 0, 0 ], [ 0, 5.84422602, 0 ], [ 0, 0, 9.18705003 ] ]

agm003595778

[ [ 1.3075331875086353, 2.92211301, 8.483056400085632 ], [ 4.536692832491364, 2.92211301, 8.483056400085632 ], [ 2.92211301, 4.536692832491364, 0.7039936299143672 ], [ 2.92211301, 1.3075331875086353, 0.7039936299143672 ], [ 0, 4.229646197508635, 3.8895313850856326 ], [ 0, 1.6145798224913643, 3.8895313850856326 ], [ 1.6145798224913643, 0, 5.297518644914367 ], [ 4.229646197508635, 0, 5.297518644914367 ], [ 0, 0, 0 ], [ 2.92211301, 2.92211301, 4.593525015 ], [ 2.92211301, 4.5321649599401095, 7.207088151634002 ], [ 2.92211301, 1.3120610600598905, 7.207088151634002 ], [ 4.5321649599401095, 2.92211301, 1.9799618783659982 ], [ 1.3120610600598905, 2.92211301, 1.9799618783659982 ], [ 1.6100519499401094, 0, 2.6135631366340015 ], [ 4.23417407005989, 0, 2.6135631366340015 ], [ 0, 1.6100519499401094, 6.573486893365998 ], [ 0, 4.23417407005989, 6.573486893365998 ] ]

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

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Er", "Er", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.4444444444444444, 0.4444444444444444 ]

[ [ 1.4591618, 0, 0 ], [ 0, 1.4591618, 0 ], [ 0, 0, 0.89916927 ] ]

-53.185188

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

[ [ 0.00251728, 0, 0.00413448 ], [ -0.00251728, 0, 0.00413448 ], [ 0, -0.00251728, -0.00413448 ], [ 0, 0.00251728, -0.00413448 ], [ 0, 0.00251728, 0.00413448 ], [ 0, -0.00251728, 0.00413448 ], [ -0.00251728, 0, -0.00413448 ], [ 0.00251728, 0, -0.00413448 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00904445, 0.00198731 ], [ 0, 0.00904445, 0.00198731 ], [ -0.00904445, 0, -0.00198731 ], [ 0.00904445, 0, -0.00198731 ], [ -0.00904445, 0, 0.00198731 ], [ 0.00904445, 0, 0.00198731 ], [ 0, -0.00904445, -0.00198731 ], [ 0, 0.00904445, -0.00198731 ] ]

-0.000033

5.531549

pbe

true

089ae1dca7e4a1a4d6f3ecc59e76c039_137_Li8Er2Ga8

[ "Ga", "Gd", "Ir", "Li" ]

4

ABCD

GaGdIrLi

Li1 Gd1 Ga1 Ir1

4

[ 1, 1, 1 ]

3

[ [ 4.64973642, 0, 0 ], [ 2.32486821, 4.02678986, 0 ], [ 2.32486821, 1.34226329, 3.79649389 ] ]

agm001360984

[ [ 0, 0, 0 ], [ 6.97460463, 4.026789862499999, 2.8473704174999996 ], [ 4.64973642, 2.684526575, 1.898246945 ], [ 2.32486821, 1.3422632875, 0.9491234725 ] ]

[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Gd", "Ir", "Ga", "Li" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.9277643, 0, 0 ], [ 0, 1.9277643, 0 ], [ 0, 0, 1.9277643 ] ]

-29.966402

[ 7.115, 0.065, 0.036, 0.03 ]

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

7.501

3.264036

pbe

true

43f3942108320f970646316c83bfb5a0_216_Li1Gd1Ga1Ir1

[ "Al", "Re" ]

16

A5B3

Al3Re5

Al6 Re10

2

[ 1, 1, 1 ]

3

[ [ 7.32593451, 0.00167533, 0 ], [ -5.70076326, 4.60116335, 0 ], [ -0.812585, -2.30141697, 6.91286284 ] ]

agm005519276

[ [ -2.8534378908784563, 2.300579123379835, 3.45643142 ], [ 3.659861549107366, 0.0008934153297557312, 3.45643142 ], [ 4.549671158880063, -1.6075292730883004, 5.748084509135046 ], [ -3.7432292252769823, 3.9088533634214753, 1.1648316290374505 ], [ 1.9050427718341192, 1.9147264633812484, 2.0785759822161305 ], [ -1.0985947299542085, 0.3868850524131314, 4.834335593466891 ], [ 1.957534506103076, -0.692308461289923, 5.74803121096255 ], [ -1.151092515502, 2.993632505574919, 1.164778330864954 ], [ -1.0985949791100582, 0.386884107614148, 2.078527246533109 ], [ 1.9050430209811562, 1.9147274081468146, 4.834286857783869 ], [ 0.40328448024487484, 1.1506856931324574, 6.912830695187793 ], [ 0.4032296414986401, 1.1507262517740071, 0.000032144812206 ], [ 0.9323929878063504, -0.33007551593463813, 3.45643142 ], [ -0.1259304620478494, 2.631921829879987, 3.45643142 ], [ -3.259837405828035, 1.1497091644372948, 5.92075897441381 ], [ 4.0660966748182155, 1.1513828507297672, 0.9921038655861892 ] ]

[{"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"]}]

[ "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Al", "Al", "Al", "Al", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.375, 0.625 ]

[ [ 12.03652, 0.26594916, 0.00000108 ], [ 0.26594916, 12.695893, 0.00000412 ], [ 0.00000108, 0.00000412, 12.027537 ] ]

-147.95557

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

[ [ -0.00011332, -0.00032095, 0 ], [ 0.0000783, 0.00022175, 0 ], [ 0.00236339, -0.00080738, -0.00311804 ], [ -0.00234638, 0.00085555, 0.00311804 ], [ 0.00409158, -0.00148125, -0.00325668 ], [ -0.00411455, 0.00141619, 0.00325668 ], [ -0.00234638, 0.00085555, -0.00311804 ], [ 0.00236339, -0.00080738, 0.00311804 ], [ -0.00411455, 0.00141619, -0.00325668 ], [ 0.00409158, -0.00148125, 0.00325668 ], [ 0.00001769, 0.0000501, 0 ], [ 0.00001769, 0.0000501, 0 ], [ -0.00249897, -0.00027834, 0 ], [ 0.00177019, -0.00178571, 0 ], [ 0.00037017, 0.00104841, 0.00264734 ], [ 0.00037017, 0.00104841, -0.00264734 ] ]

-0.000001

9.533782

pbe

true

100c1f9306a8c0d368ed4b1e87f55b46_140_Al6Re10

[ "Br", "Ca", "Cd" ]

8

A2BC

BrCaCd2

Ca2 Cd4 Br2

3

[ 1, 1, 1 ]

3

[ [ 9.12346675, 0, 0 ], [ 0, 9.12346675, 0 ], [ 4.56173338, 4.56173338, 2.92453753 ] ]

agm002811187

[ [ 4.561733375, 4.561733375, 0 ], [ 4.5617333774999995, 9.1234667525, 1.462268765 ], [ 0, 0, 0 ], [ 9.1234667525, 4.5617333774999995, 1.462268765 ], [ 6.845779956851045, 2.2808666887499998, 0.7311343825 ], [ 2.277686795648955, 6.84260006375, 0.7311343825 ], [ 6.84260006625, 6.839420173148955, 2.1934031474999998 ], [ 11.40433344125, 11.407513334351044, 2.1934031474999998 ] ]

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

[ "Ca", "Ca", "Br", "Br", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.792846, 0, 0 ], [ 0, 3.792846, 0 ], [ 0, 0, 0.988174 ] ]

-15.063836

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00967839, 0, 0 ], [ 0.00967839, 0, 0 ], [ 0, 0.00967839, 0 ], [ 0, -0.00967839, 0 ] ]

0

3.682919

pbe

true

7b21de285aa92fa7ecbeaa65e57664f9_122_Ca2Cd4Br2

[ "Ce", "Sn" ]

7

A6B

CeSn6

Ce1 Sn6

2

[ 1, 1, 1 ]

3

[ [ 7.01148968, 0, 0 ], [ -2.33716323, 6.61049587, 0 ], [ -2.33716323, -3.30524793, 5.72485735 ] ]

agm005405078

[ [ 0, 0, 0 ], [ -1.1685816174999997, 3.3052479375, 2.862428675 ], [ 1.1685816100000004, 4.13155992, 1.4312143375 ], [ -1.1685816174999997, 0.8263119875, 4.2936430125 ], [ 3.505744837500001, 2.4999999848063226e-9, 2.862428675 ], [ 1.1685816100000004, -0.8263119800000001, 4.2936430125 ], [ 3.5057448375000004, 2.4789359525, 1.4312143375 ] ]

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

[ "Ce", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.8571428571428571 ]

[ [ 1.5217699, 0, 0 ], [ 0, 1.5217699, 0 ], [ 0, 0, 1.5217699 ] ]

-27.603746

[ -1.455, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002 ]

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

-1.774643

14.069135

pbe

true

610673adb93ef327c5cff82bf92b7ef0_229_Ce1Sn6

[ "Ca", "Cu", "Ni" ]

12

A4BC

CaCu4Ni

Ca2 Cu8 Ni2

3

[ 1, 1, 1 ]

3

[ [ 5.81488191, 0, 0 ], [ 0, 5.81488191, 0 ], [ 0, 0, 6.73681952 ] ]

agm003748339

[ [ 2.907440955, 0, 3.36840976 ], [ 0, 2.907440955, 3.36840976 ], [ 3.7269236565510733, 0.8194827015510733, 0 ], [ 4.995399208448927, 3.7269236565510733, 0 ], [ 0.8194827015510733, 2.087958253448927, 0 ], [ 2.087958253448927, 4.995399208448927, 0 ], [ 0, 0, 2.2193011576626627 ], [ 2.907440955, 2.907440955, 4.517518362337338 ], [ 0, 0, 4.517518362337338 ], [ 2.907440955, 2.907440955, 2.2193011576626627 ], [ 2.907440955, 2.907440955, 0 ], [ 0, 0, 0 ] ]

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

[ "Ca", "Ca", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

[ [ -6.9564056, 0, 0 ], [ 0, -6.9564056, 0 ], [ 0, 0, -6.90061 ] ]

-43.291788

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00352828, -0.00352828, 0 ], [ 0.00352828, -0.00352828, 0 ], [ -0.00352828, 0.00352828, 0 ], [ 0.00352828, 0.00352828, 0 ], [ 0, 0, -0.00687783 ], [ 0, 0, 0.00687783 ], [ 0, 0, 0.00687783 ], [ 0, 0, -0.00687783 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000011

6.798558

pbe

true

deab3bb18371656b93b7f4a75ef81967_127_Ca2Cu8Ni2

[ "Dy", "Ga", "Lu" ]

4

A2BC

Dy2GaLu

Dy2 Lu1 Ga1

3

[ 1, 1, 1 ]

3

[ [ 4.6754887, 0, 0 ], [ 0, 4.69321879, 0 ], [ 0, 0, 4.69321879 ] ]

agm001205928

[ [ 2.33774435, 2.346609395, 2.346609395 ], [ 2.33774435, 0, 0 ], [ 0, 0, 2.346609395 ], [ 0, 2.346609395, 0 ] ]

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

[ "Lu", "Ga", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.95342886, 0, 0 ], [ 0, 0.9850158, 0 ], [ 0, 0, 0.9850158 ] ]

-17.709718

[ 0.001, 0, 0.001, 0.001 ]

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

0.002016

5.165008

pbe

true

665c1872e93ee3233d82bc9006563ef8_123_Dy2Lu1Ga1

[ "Er", "Ho", "Th", "Tm" ]

12

A6B3C2D

Er2Ho6ThTm3

Ho6 Er2 Tm3 Th1

4

[ 1, 1, 1 ]

3

[ [ 6.09377052, 0.00124935, 0.0173373 ], [ -3.04431993, 5.27884049, 0.0173373 ], [ -1.04885637, -1.81608315, 11.48254214 ] ]

agm004660358

[ [ 3.01234863279529, 1.7283907232992755, 8.632575075561677 ], [ 2.0363538906047625, 3.5259241553540654, 2.9018582092383007 ], [ -1.0117544127952904, 1.7356159667007247, 2.884641664438322 ], [ -0.008368062388863713, 3.4729682971570575, 8.632575075561677 ], [ -0.035759670604762483, -0.06191746535406526, 8.6153585307617 ], [ 2.008962282388863, -0.008961607157057433, 2.884641664438322 ], [ 0.0015499988141099445, 3.519735977097988, 0.0173373 ], [ 3.047900591185889, 1.7603538629020121, 0.0173373 ], [ -2.0394209649422654, 3.4875549307706524, 5.75860837 ], [ 4.040015184942265, -0.02354824077065254, 5.75860837 ], [ 1.00029711, 1.7320033450000003, 5.75860837 ], [ 0, 0, 0 ] ]

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

[ "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Er", "Er", "Tm", "Tm", "Tm", "Th" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.08333333333333333, 0.25 ]

[ [ 0.29112265, 0.00162888, 0.0019045 ], [ 0.00162888, 0.29300228, 0.00329763 ], [ 0.00190446, 0.00329755, 0.26791158 ] ]

-57.106475

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

[ [ 0.0019529, 0.00264676, -0.00351751 ], [ -0.001722, -0.00298162, 0.0040966 ], [ -0.0019529, -0.00264676, 0.00351751 ], [ 0.00131656, 0.00301428, -0.00351751 ], [ 0.001722, 0.00298162, -0.0040966 ], [ -0.00131656, -0.00301428, 0.00351751 ], [ -0.00178, 0.00102801, 0 ], [ 0.00178, -0.00102801, 0 ], [ -0.00017628, 0.00010181, 0 ], [ 0.00017628, -0.00010181, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000096

16.147902

pbe

true

b7f16c3e8ef455af417c943d2c6bc197_12_Ho6Er2Tm3Th1

[ "Hg", "Ho", "Sm" ]

10

A5B4C

Hg4Ho5Sm

Sm1 Ho5 Hg4

3

[ 1, 1, 1 ]

3

[ [ 3.67426553, 0, 0 ], [ 0, 3.67426553, 0 ], [ 0, 0, 19.98767868 ] ]

agm003651442

[ [ 0, 0, 0 ], [ 1.837132765, 1.837132765, 2.48428917044624 ], [ 1.837132765, 1.837132765, 6.255002330264158 ], [ 1.837132765, 1.837132765, 9.99383934 ], [ 1.837132765, 1.837132765, 13.73267634973584 ], [ 1.837132765, 1.837132765, 17.50338950955376 ], [ 0, 0, 4.341553867477606 ], [ 0, 0, 8.098453342682989 ], [ 0, 0, 11.889225337317008 ], [ 0, 0, 15.646124812522391 ] ]

[{"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": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Sm", "Ho", "Ho", "Ho", "Ho", "Ho", "Hg", "Hg", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.4, 0.5, 0.1 ]

[ [ 1.8447417, 0, 0 ], [ 0, 1.8447417, 0 ], [ 0, 0, 1.9371599 ] ]

-32.584768

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

[ [ 0, 0, 0 ], [ 0, 0, 0.00209954 ], [ 0, 0, -0.00694938 ], [ 0, 0, 0 ], [ 0, 0, 0.00694938 ], [ 0, 0, -0.00209954 ], [ 0, 0, -0.00244742 ], [ 0, 0, -0.00027169 ], [ 0, 0, 0.00027169 ], [ 0, 0, 0.00244742 ] ]

-0.000035

10.529275

pbe

true

263869d96cad799599f34d5249982457_123_Sm1Ho5Hg4

[ "Mo", "Ru", "V" ]

4

A2BC

Mo2RuV

Mo2 Ru1 V1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.088484429, 3.088484429 ], [ 3.088484429, 0, 3.088484429 ], [ 3.088484429, 3.088484429, 0 ] ]

oqmd-7179212

[ [ 3.08848, 3.08848, 3.08848 ], [ 4.63273, 4.63273, 4.63273 ], [ 0, 0, 0 ], [ 1.54424, 1.54424, 1.54424 ] ]

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

[ "Mo", "Mo", "Ru", "V" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 1.03008083, 0, 0 ], [ 0, 1.03008083, 0 ], [ 0, 0, 1.03008083 ] ]

-39.9782

[ -0.001, 0.001, 0, 0.007 ]

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

0.012515

null

pbe

false

56e257694acaa18541d7589d1586b8f0_216_V1Mo2Ru1

[ "Cd", "Hg", "Tc" ]

4

A2BC

Cd2HgTc

Cd2 Tc1 Hg1

3

[ 1, 1, 1 ]

3

[ [ 5.35105058, 0.03093524, 2e-8 ], [ 2.05567929, 4.94053458, 2e-8 ], [ -3.70336754, -2.48573666, 2.95649829 ] ]

agm003861377

[ [ 0, 0, 0 ], [ 3.7033649349999997, 2.4857349099999997, 2e-8 ], [ 1.0278383425000002, 2.4702664149999993, 1.478249165 ], [ 2.6755239875, 0.015466744999999893, 1.478249165 ] ]

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

[ "Cd", "Cd", "Hg", "Tc" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 6.822752, -0.01438961, -0.000006 ], [ -0.01438961, 6.834532, -0.00000403 ], [ -0.000006, -0.00000403, 6.844169 ] ]

-10.602872

[ -0.001, -0.001, -0.024, 1.418 ]

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

1.56756

3.530287

pbe

true

3fa7ea7d7d261bde539327ba20b648bb_139_Cd2Tc1Hg1

[ "Ga", "Lu", "Sc", "Ti" ]

4

ABCD

GaLuScTi

Lu1 Sc1 Ti1 Ga1

4

[ 1, 1, 1 ]

3

[ [ 4.92135802, 0, 0 ], [ 2.46067901, 4.26202107, 0 ], [ 2.46067901, 1.42067369, 4.018272 ] ]

agm001292762

[ [ 4.92135802, 2.84134738, 2.009136 ], [ 0, 0, 0 ], [ 7.38203703, 4.26202107, 3.0137039999999997 ], [ 2.46067901, 1.42067369, 1.004568 ] ]

[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Sc", "Lu", "Ga", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.9957695, 0, 0 ], [ 0, 1.9957695, 0 ], [ 0, 0, 1.9957695 ] ]

-22.383509

[ 0.352, 0.308, -0.037, 1.589 ]

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

2.839091

3.536134

pbe

true

cbcc1d8e8da3e27159e8b62fd2c9827a_216_Lu1Sc1Ti1Ga1

[ "Au", "Sc", "V" ]

4

A2BC

Au2ScV

Sc1 V1 Au2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.31897676, 3.31897676 ], [ 3.31897676, 0, 3.31897676 ], [ 3.31897676, 3.31897676, 0 ] ]

agm002735217

[ [ 0, 0, 0 ], [ 1.65948838, 1.65948838, 1.65948838 ], [ 4.97846514, 4.97846514, 4.97846514 ], [ 3.31897676, 3.31897676, 3.31897676 ] ]

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

[ "Sc", "Au", "Au", "V" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 6.1377263, 0, 0 ], [ 0, 6.1377263, 0 ], [ 0, 0, 6.1377263 ] ]

-23.333619

[ 0.108, 0.066, 0.066, 2.354 ]

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

3.061403

4.796751

pbe

true

0c580697de27f4a220601bd58774293f_225_Sc1V1Au2

[ "In", "N", "Ni", "Te" ]

5

A2BCD

InN2NiTe

In1 Ni1 Te1 N2

4

[ 1, 1, 1 ]

3

[ [ 4.12682501, 0, 0 ], [ 0, 4.12682501, 0 ], [ 0, 0, 6.30777326 ] ]

agm001738872

[ [ 2.063412505, 2.063412505, 3.15388663 ], [ 0, 2.063412505, 0 ], [ 2.063412505, 0, 0 ], [ 0, 0, 3.15388663 ], [ 0, 0, 0 ] ]

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

[ "Ni", "N", "N", "Te", "In" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.3682104, 0, 0 ], [ 0, 0.3682104, 0 ], [ 0, 0, 0.1778632 ] ]

-20.104677

[ 0.81, 1.066, 1.066, 0.184, -0.008 ]

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

4.19141

3.217675

pbe

true

be6576dc0dbab0a3862dd1754818e97d_123_In1Ni1Te1N2

[ "Pb", "Tl", "Zn" ]

6

ABC

PbTlZn

Tl2 Zn2 Pb2

3

[ 1, 1, 1 ]

3

[ [ 5.94291491, -0.41086222, 0 ], [ -3.20670945, 5.02036452, 0 ], [ -1.36810273, -2.30475115, 5.51886816 ] ]

agm001043062

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

[ "Tl", "Tl", "Pb", "Pb", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.0197563, 0.15337682, 0 ], [ 0.15337682, 5.1870956, 0 ], [ 0, 0, 5.1744475 ] ]

-14.326946

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

[ [ -0.00048085, 0.00028543, 0 ], [ 0.00048085, -0.00028543, 0 ], [ 0, 0, 0.00301681 ], [ 0, 0, -0.00301681 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000001

2.52032

pbe

true

5ca70dd64f51f1b4b99eb9416a13b709_69_Tl2Zn2Pb2

[ "Cd", "H", "Mo", "Si", "Te", "W" ]

6

ABCDEF

CdHMoSiTeW

Cd1 Si1 Te1 Mo1 H1 W1

6

[ 1, 1, 1 ]

3

[ [ 3.24342859, 0, 0 ], [ 0, 3.21888361, 0 ], [ 0, 0, 9.56843312 ] ]

agm002085887

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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Cd", "Si", "Te", "Mo", "H", "W" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 4.8521624, 0, 0 ], [ 0, 4.5843296, 0 ], [ 0, 0, 4.763216 ] ]

-35.822252

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

[ [ 0, 0, -0.00467041 ], [ 0, 0, 0.00330854 ], [ 0, 0, -0.00218664 ], [ 0, 0, 0.00176511 ], [ 0, 0, -0.0004263 ], [ 0, 0, 0.0022097 ] ]

0.00001

2.167562

pbe

true

06b85128367565a5f19a72c28247e6fe_25_Cd1Si1Te1Mo1H1W1

[ "Cr", "Ni" ]

24

A3B

Cr3Ni

Cr3 Ni1

2

[ 1, 1, 1 ]

3

[ [ 4.685111644, 0, 0 ], [ -2.342555822, 4.057425703, 0 ], [ 0, 0, 15.093485033 ] ]

oqmd-8190504

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

[ "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]

2024-11-01 00:00:00

[ 0.75, 0.25 ]

[ [ -2.48250107, 0, 0 ], [ 0, -2.48250107, 0 ], [ 0, 0, -6.74513363 ] ]

-198.156

[ 1.718, -0.286, 1.607, -0.079, -0.09, -0.049, 1.603, -0.29, 1.73, 1.73, -0.29, 1.603, -0.049, -0.09, -0.079, 1.607, -0.286, 1.718, 0.185, 0.179, 0.226, 0.184, 0.177, 0.231 ]

[ [ 0, 0, -0.347889 ], [ 0, 0, -0.006695 ], [ 0, 0, 0.358242 ], [ 0, -0.105556, 0 ], [ -0.091414, 0.052778, 0 ], [ 0.091414, 0.052778, 0 ], [ 0, 0, -0.358242 ], [ 0, 0, 0.006695 ], [ 0, 0, 0.347889 ], [ 0, 0, -0.347889 ], [ 0, 0, -0.006695 ], [ 0, 0, 0.358242 ], [ -0.091414, -0.052778, 0 ], [ 0.091414, -0.052778, 0 ], [ 0, 0.105556, 0 ], [ 0, 0, -0.358242 ], [ 0, 0, 0.006695 ], [ 0, 0, 0.347889 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

13.4627

null

pbe

false

1b7ea006652d9bdbe495420c12b2d6eb_194_Cr18Ni6

[ "Fe", "Ga", "Hg" ]

5

A2B2C

Fe2Ga2Hg

Ga2 Fe2 Hg1

3

[ 1, 1, 1 ]

3

[ [ 3.72081561, 0, 0 ], [ 0, 3.72081561, 0 ], [ 1.8604078, 1.8604078, 5.95511412 ] ]

agm002920882

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

[ "Hg", "Ga", "Ga", "Fe", "Fe" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 6.43564, 0, 0 ], [ 0, 6.43564, 0 ], [ 0, 0, 6.703475 ] ]

-21.820189

[ 0.021, -0.082, -0.082, 2.309, 2.309 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00354377 ], [ 0, 0, -0.00354377 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.44106

4.792597

pbe

true

bdb8a288bcd50d5ea4717df442e4af31_139_Ga2Fe2Hg1

[ "As", "Ir", "N", "Se" ]

5

A2BCD

AsIrNSe2

As1 Ir1 Se2 N1

4

[ 1, 1, 1 ]

3

[ [ 4.90817316, 0, 0 ], [ 0, 4.90817316, 0 ], [ 0, 0, 4.70012528 ] ]

agm001788460

[ [ 0, 0, 2.35006264 ], [ 0, 0, 0 ], [ 0, 2.45408658, 0 ], [ 2.45408658, 0, 0 ], [ 2.45408658, 2.45408658, 2.35006264 ] ]

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

[ "As", "Ir", "Se", "Se", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.26733613, 0, 0 ], [ 0, 0.26733613, 0 ], [ 0, 0, 0.04260279 ] ]

-20.159258

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

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

-0.002265

7.248937

pbe

true

5710111595351ffa93d32f1f3aa80f0b_123_As1Ir1Se2N1

[ "Ce", "Rh", "Th" ]

3

ABC

CeRhTh

Ce1 Th1 Rh1

3

[ 1, 1, 1 ]

3

[ [ 3.96258033, 0, 0 ], [ 0, 4.60059669, 0 ], [ 0, -2.30029834, 3.9842336 ] ]

agm001273664

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

[ "Rh", "Ce", "Th" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.9114165, 0, 0 ], [ 0, 4.800708, 0 ], [ 0, 0, 4.800708 ] ]

-21.880679

[ 0, 0, 0 ]

[ [ 0.0001937, 0, 0 ], [ 0.00274486, 0, 0 ], [ -0.00293856, 0, 0 ] ]

-0.000001

3.789817

pbe

true

ade9b9c76a3b84532786661f2545786a_156_Ce1Th1Rh1

[ "Ba", "Cu", "F", "Ni" ]

18

A6BCD

BaCuF6Ni

Ba2 Cu2 Ni2 F12

4

[ 1, 1, 1 ]

3

[ [ 7.2100749, 0, 0 ], [ 0, 7.08833939, 0 ], [ -3.60503745, -3.5441697, 5.09163642 ] ]

agm005071078

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

[ "Ba", "Ba", "Cu", "Cu", "Ni", "Ni", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]

[ [ 2.2643535, 0, 0 ], [ 0, 2.029505, 0 ], [ 0, 0, 2.1573927 ] ]

-82.902858

[ 0.002, 0.002, 0.731, 0.731, 1.827, 1.827, 0.1, 0.055, 0.066, 0.066, 0.066, 0.066, 0.1, 0.055, 0.066, 0.066, 0.066, 0.066 ]

[ [ 0, 0, -0.00346628 ], [ 0, 0, 0.00346628 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00420087 ], [ 0, 0, -0.00051274 ], [ -0.00492168, 0.00030138, -0.00347904 ], [ 0.00492168, -0.00030138, -0.00347904 ], [ 0.00492168, 0.00030138, -0.00347904 ], [ -0.00492168, -0.00030138, -0.00347904 ], [ 0, 0, -0.00420087 ], [ 0, 0, 0.00051274 ], [ 0.00492168, -0.00030138, 0.00347904 ], [ -0.00492168, 0.00030138, 0.00347904 ], [ -0.00492168, -0.00030138, 0.00347904 ], [ 0.00492168, 0.00030138, 0.00347904 ] ]

6.000441

10.061335

pbe

true

b6fb7f8bce081585b20888022bc1bcf8_74_Ba2Cu2Ni2F12

[ "Ho", "La", "Mg", "Pm" ]

10

A2BCD

HoLaMgPm2

La2 Pm4 Ho2 Mg2

4

[ 1, 1, 1 ]

3

[ [ 5.69563741, 0, 0 ], [ 0, 6.17769506, 1.1689914 ], [ 0, 1.5394514, 9.43152354 ] ]

agm005014563

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

[ "La", "La", "Pm", "Pm", "Pm", "Pm", "Ho", "Ho", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.5061005, 0, 0 ], [ 0, 0.47974002, 0.01021491 ], [ 0, 0.01021479, 0.53399515 ] ]

-41.029784

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

[ [ 0, -0.00056913, 0.00393986 ], [ 0, 0.00056913, -0.00393986 ], [ 0, -0.00157535, 0.00404227 ], [ 0, 0.00157535, -0.00404227 ], [ 0, -0.00205921, 0.00137936 ], [ 0, 0.00205921, -0.00137936 ], [ 0, 0.00224912, 0.0015789 ], [ 0, -0.00224912, -0.0015789 ], [ 0, -0.00233351, -0.00258358 ], [ 0, 0.00233351, 0.00258358 ] ]

-0.001182

14.389211

pbe

true

bd13ad0908791764126a096d491c842b_11_La2Pm4Ho2Mg2

[ "Al", "Cd", "Ni" ]

4

A2BC

AlCdNi2

Al1 Cd1 Ni2

3

[ 1, 1, 1 ]

3

[ [ 4.27050513, 0, 0 ], [ 2.13525257, 3.69836593, 0 ], [ 2.13525257, 1.23278864, 3.48685284 ] ]

agm002197277

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

[ "Ni", "Ni", "Al", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -4.587787, 0, 0 ], [ 0, -4.587787, 0 ], [ 0, 0, -4.5877867 ] ]

-17.089628

[ 0, 0, 0, 0 ]

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

0

2.087777

pbe

true

586e75666eef14b6b7c4c7a99e3de5e0_225_Al1Cd1Ni2

[ "B", "Os", "Sr" ]

6

A4BC

B4OsSr

B4 Os1 Sr1

3

[ 1, 1, 1 ]

3

[ [ 3.142478275, 0, 0 ], [ -1.571239138, 2.721466017, 0 ], [ 0, 0, 7.56106782 ] ]

oqmd-5875422

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

[ "B", "B", "B", "B", "Os", "Sr" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 9.31526969, 0, 0 ], [ 0, 9.31526969, 0 ], [ 0, 0, 9.49591812 ] ]

-38.4094

[ 0, 0, 0, 0, 0.004, -0.001 ]

[ [ 0, 0, 0.020124 ], [ 0, 0, 0.020124 ], [ 0, 0, -0.020124 ], [ 0, 0, -0.020124 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.0047

null

pbe

true

b1e2d7e5d596c6d2bf1bf19eb9d1d94b_191_Sr1B4Os1

[ "N", "O", "Pt" ]

8

A2BC

N2OPt

Pt2 N4 O2

3

[ 1, 1, 1 ]

3

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agm002860597

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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