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{
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"results": [
{
"id": "jvasp-25612",
"created_at": "2022-09-04T14:37:48.977639Z",
"updated_at": "2022-09-04T14:37:48.977662Z",
"structure_string": "Nd12 Nb4 O28\n1.0\n7.663464 0.000000 0.000000\n0.000000 7.691680 0.000000\n0.000000 0.000000 11.008165\nNd Nb O\n12 4 28\ndirect\n0.487590 0.290434 0.250000 Nd\n0.749253 0.546586 0.475322 Nd\n0.250746 0.453414 0.524677 Nd\n0.987590 0.209565 0.250000 Nd\n0.750746 0.046586 0.975322 Nd\n0.750746 0.046586 0.524677 Nd\n0.512409 0.709565 0.750000 Nd\n0.250746 0.453414 0.975322 Nd\n0.012409 0.790434 0.750000 Nd\n0.249254 0.953414 0.024678 Nd\n0.749253 0.546586 0.024678 Nd\n0.249254 0.953414 0.475322 Nd\n0.504074 0.247309 0.750000 Nb\n0.004075 0.252691 0.750000 Nb\n0.495925 0.752691 0.250000 Nb\n0.995925 0.747309 0.250000 Nb\n0.247299 0.333504 0.750000 O\n0.044739 0.591510 0.386391 O\n0.538010 0.449533 0.873360 O\n0.256514 0.727128 0.882255 O\n0.756513 0.772872 0.882255 O\n0.461989 0.550467 0.126640 O\n0.747298 0.166496 0.750000 O\n0.544739 0.908490 0.113609 O\n0.243486 0.227128 0.117745 O\n0.955260 0.408490 0.613608 O\n0.044739 0.591510 0.113609 O\n0.544739 0.908490 0.386391 O\n0.955260 0.408490 0.886391 O\n0.256514 0.727128 0.617744 O\n0.455261 0.091510 0.886391 O\n0.743486 0.272872 0.117745 O\n0.455261 0.091510 0.613608 O\n0.243486 0.227128 0.382255 O\n0.461989 0.550467 0.373360 O\n0.252701 0.833504 0.250000 O\n0.756513 0.772872 0.617744 O\n0.961989 0.949533 0.373360 O\n0.538010 0.449533 0.626640 O\n0.752701 0.666496 0.250000 O\n0.961989 0.949533 0.126640 O\n0.038011 0.050467 0.626640 O\n0.743486 0.272872 0.382255 O\n0.038011 0.050467 0.873360 O\n",
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{
"id": "jvasp-21896",
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"updated_at": "2022-09-04T14:37:49.085742Z",
"structure_string": "Hf4 Si4 Rh4\n1.0\n3.924882 -0.000000 0.000000\n0.000000 6.516946 0.000000\n0.000000 0.000000 7.458977\nHf Si Rh\n4 4 4\ndirect\n0.250000 0.520498 0.184705 Hf\n0.750000 0.479502 0.815296 Hf\n0.250000 0.020498 0.315296 Hf\n0.750000 0.979503 0.684705 Hf\n0.250000 0.772635 0.883118 Si\n0.750000 0.227366 0.116882 Si\n0.250000 0.272634 0.616882 Si\n0.750000 0.727366 0.383118 Si\n0.750000 0.849793 0.066663 Rh\n0.250000 0.150208 0.933338 Rh\n0.750000 0.349792 0.433337 Rh\n0.250000 0.650208 0.566663 Rh\n",
"nsites": 12,
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"volume": 190.78753407211158,
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"formula_anonymous": "ABC",
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{
"id": "jvasp-25609",
"created_at": "2022-09-04T14:37:49.181872Z",
"updated_at": "2022-09-04T14:37:49.181901Z",
"structure_string": "K12 P4 O16\n1.0\n5.947520 0.000000 0.000000\n-0.000000 8.084114 0.000000\n0.000000 0.000000 11.217176\nK P O\n12 4 16\ndirect\n0.804618 0.492505 0.644499 K\n0.195382 0.992504 0.355501 K\n0.304618 0.507495 0.855502 K\n0.138212 0.250000 0.070049 K\n0.638212 0.750000 0.429951 K\n0.861788 0.750000 0.929952 K\n0.304618 0.992504 0.855502 K\n0.361788 0.250000 0.570049 K\n0.695382 0.492505 0.144499 K\n0.195382 0.507495 0.355501 K\n0.804618 0.007495 0.644499 K\n0.695382 0.007495 0.144499 K\n0.218316 0.750000 0.615034 P\n0.281684 0.750000 0.115034 P\n0.781684 0.250000 0.384966 P\n0.718316 0.250000 0.884966 P\n0.947422 0.250000 0.493504 O\n0.367256 0.591546 0.610638 O\n0.867256 0.091547 0.889363 O\n0.552577 0.250000 0.993504 O\n0.924456 0.250000 0.268138 O\n0.632743 0.408453 0.389362 O\n0.447422 0.750000 0.006496 O\n0.367256 0.908453 0.610638 O\n0.132744 0.591546 0.110638 O\n0.867256 0.408453 0.889363 O\n0.132744 0.908453 0.110638 O\n0.632743 0.091547 0.389362 O\n0.052577 0.750000 0.506496 O\n0.075544 0.750000 0.731862 O\n0.575544 0.250000 0.768138 O\n0.424456 0.750000 0.231862 O\n",
"nsites": 32,
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"formula_full": "K12 P4 O16",
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},
{
"id": "jvasp-23796",
"created_at": "2022-09-04T14:37:49.221131Z",
"updated_at": "2022-09-04T14:37:49.221146Z",
"structure_string": "Lu4 Si4 Ir4\n1.0\n4.181152 -0.000000 0.000000\n-0.000000 6.706701 0.000000\n0.000000 0.000000 7.409922\nLu Si Ir\n4 4 4\ndirect\n0.750000 0.504871 0.811954 Lu\n0.250000 0.995129 0.311954 Lu\n0.750000 0.004871 0.688046 Lu\n0.250000 0.495129 0.188046 Lu\n0.250000 0.705517 0.612083 Si\n0.250000 0.205517 0.887916 Si\n0.750000 0.294483 0.387916 Si\n0.750000 0.794483 0.112083 Si\n0.250000 0.838204 0.933312 Ir\n0.250000 0.338204 0.566687 Ir\n0.750000 0.661795 0.433312 Ir\n0.750000 0.161795 0.066687 Ir\n",
"nsites": 12,
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"elements": [
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"density": 12.6352504807384,
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"volume": 207.78707872424894,
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"formula_full": "Lu4 Si4 Ir4",
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"spacegroup": 62
},
{
"id": "jvasp-23784",
"created_at": "2022-09-04T14:37:49.611892Z",
"updated_at": "2022-09-04T14:37:49.611913Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n5.563563 0.000000 0.000000\n0.000000 5.595657 0.000000\n0.000000 0.000000 7.876208\nSr Ru O\n4 4 12\ndirect\n0.525273 0.503816 0.750000 Sr\n0.474726 0.496184 0.250000 Sr\n0.974726 0.003816 0.250000 Sr\n0.025273 0.996184 0.750000 Sr\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.996442 0.438781 0.750000 O\n0.218163 0.218270 0.467993 O\n0.218163 0.218270 0.032007 O\n0.281836 0.718270 0.532007 O\n0.781836 0.781730 0.967993 O\n0.718163 0.281730 0.467993 O\n0.281836 0.718270 0.967993 O\n0.718163 0.281730 0.032007 O\n0.496443 0.061219 0.750000 O\n0.781836 0.781730 0.532007 O\n0.503557 0.938781 0.250000 O\n0.003557 0.561219 0.250000 O\n",
"nsites": 20,
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"density": 6.411570518165555,
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"volume": 245.20045538900868,
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"formula_full": "Sr4 Ru4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-51574",
"created_at": "2022-09-04T14:37:50.034330Z",
"updated_at": "2022-09-04T14:37:50.034358Z",
"structure_string": "Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cl-Cu-Rb",
"density": 3.3392070126620497,
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"volume": 677.9802865018298,
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"formula_full": "Rb8 Cu4 Cl12",
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"spacegroup": 62
},
{
"id": "jvasp-23791",
"created_at": "2022-09-04T14:37:50.565542Z",
"updated_at": "2022-09-04T14:37:50.565567Z",
"structure_string": "Sc4 Si4 Ni4\n1.0\n4.019530 0.000000 0.000000\n0.000000 6.440208 0.000000\n0.000000 0.000000 6.957428\nSc Si Ni\n4 4 4\ndirect\n0.750000 0.006969 0.203135 Sc\n0.250000 0.993032 0.796865 Sc\n0.750000 0.506969 0.296865 Sc\n0.250000 0.493031 0.703135 Sc\n0.250000 0.300571 0.092539 Si\n0.750000 0.699429 0.907461 Si\n0.250000 0.800571 0.407461 Si\n0.750000 0.199429 0.592540 Si\n0.250000 0.687183 0.080230 Ni\n0.750000 0.312818 0.919770 Ni\n0.250000 0.187182 0.419770 Ni\n0.750000 0.812818 0.580230 Ni\n",
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"density": 4.858315960131464,
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"volume": 180.1042201061679,
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"formula_full": "Sc4 Si4 Ni4",
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},
{
"id": "jvasp-23340",
"created_at": "2022-09-04T14:37:50.512010Z",
"updated_at": "2022-09-04T14:37:50.512029Z",
"structure_string": "Dy4 Si4 Ru4\n1.0\n4.357391 0.000000 0.000000\n-0.000000 6.998604 0.000000\n0.000000 0.000000 7.081833\nDy Si Ru\n4 4 4\ndirect\n0.250000 0.983761 0.813912 Dy\n0.750000 0.016238 0.186087 Dy\n0.250000 0.483762 0.686087 Dy\n0.750000 0.516238 0.313912 Dy\n0.250000 0.304465 0.106385 Si\n0.750000 0.695535 0.893615 Si\n0.250000 0.804465 0.393615 Si\n0.750000 0.195535 0.606385 Si\n0.750000 0.846178 0.567441 Ru\n0.250000 0.153822 0.432559 Ru\n0.750000 0.346178 0.932558 Ru\n0.250000 0.653821 0.067441 Ru\n",
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{
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"created_at": "2022-09-04T14:37:50.931664Z",
"updated_at": "2022-09-04T14:37:50.931689Z",
"structure_string": "Fe12 B4\n1.0\n4.379969 -0.001923 -0.000574\n0.002433 5.352550 -0.000664\n0.000852 0.000804 6.616020\nFe B\n12 4\ndirect\n0.121533 0.019808 0.250001 Fe\n0.150559 0.322748 0.945491 Fe\n0.150562 0.322747 0.554509 Fe\n0.349437 0.822745 0.945492 Fe\n0.349438 0.822742 0.554509 Fe\n0.378468 0.519807 0.250002 Fe\n0.621533 0.480190 0.750000 Fe\n0.650558 0.177258 0.445494 Fe\n0.650557 0.177256 0.054508 Fe\n0.849441 0.677255 0.445494 Fe\n0.849444 0.677255 0.054508 Fe\n0.878464 0.980190 0.750001 Fe\n0.074628 0.616405 0.750001 B\n0.425371 0.116408 0.750000 B\n0.574632 0.883590 0.250002 B\n0.925369 0.383594 0.250001 B\n",
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},
{
"id": "jvasp-29416",
"created_at": "2022-09-04T14:37:51.099329Z",
"updated_at": "2022-09-04T14:37:51.099360Z",
"structure_string": "Mn4 Sb4 S8 Cl4\n1.0\n3.823740 0.000000 0.000000\n0.000000 9.432167 0.000000\n0.000000 0.000000 12.252403\nMn Sb S Cl\n4 4 8 4\ndirect\n0.250000 0.997301 0.263189 Mn\n0.750000 0.002700 0.736811 Mn\n0.250000 0.497301 0.236811 Mn\n0.750000 0.502700 0.763189 Mn\n0.750000 0.306456 0.465658 Sb\n0.750000 0.806456 0.034342 Sb\n0.250000 0.193545 0.965658 Sb\n0.250000 0.693545 0.534342 Sb\n0.250000 0.948401 0.883045 S\n0.750000 0.051600 0.116955 S\n0.250000 0.253176 0.323187 S\n0.250000 0.448401 0.616955 S\n0.750000 0.246824 0.823187 S\n0.750000 0.551600 0.383045 S\n0.250000 0.753176 0.176813 S\n0.750000 0.746824 0.676813 S\n0.250000 0.563941 0.887612 Cl\n0.750000 0.436059 0.112388 Cl\n0.750000 0.936059 0.387612 Cl\n0.250000 0.063941 0.612388 Cl\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.152781394416589,
"density_atomic": 0.04525940987252352,
"volume": 441.89705646475466,
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"formula_full": "Mn4 Sb4 S8 Cl4",
"formula_reduced": "MnSbS2Cl",
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{
"id": "jvasp-98231",
"created_at": "2022-09-04T14:37:51.597357Z",
"updated_at": "2022-09-04T14:37:51.597393Z",
"structure_string": "Sm4 Be4 F16\n1.0\n5.272448 0.000000 0.000000\n0.000000 6.774663 0.000000\n0.000000 0.000000 8.246358\nSm Be F\n4 4 16\ndirect\n0.783539 0.899651 0.863221 Sm\n0.283539 0.100348 0.136779 Sm\n0.783539 0.600348 0.363221 Sm\n0.283539 0.399652 0.636779 Sm\n0.283475 0.634230 0.050585 Be\n0.783476 0.365770 0.949415 Be\n0.783476 0.134230 0.449415 Be\n0.283475 0.865769 0.550585 Be\n0.783424 0.942431 0.350685 F\n0.283424 0.057569 0.649315 F\n0.783424 0.557568 0.850685 F\n0.783418 0.410378 0.131882 F\n0.046436 0.730285 0.596665 F\n0.546436 0.269715 0.403335 F\n0.046436 0.769714 0.096665 F\n0.546436 0.230285 0.903335 F\n0.020508 0.269705 0.403365 F\n0.520508 0.730294 0.596636 F\n0.020508 0.230295 0.903365 F\n0.520508 0.769705 0.096636 F\n0.283418 0.910378 0.368118 F\n0.783418 0.089622 0.631882 F\n0.283418 0.589621 0.868118 F\n0.283424 0.442431 0.149315 F\n",
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{
"id": "jvasp-54651",
"created_at": "2022-09-04T14:37:51.438253Z",
"updated_at": "2022-09-04T14:37:51.438280Z",
"structure_string": "Cu4 Bi4 Pb4 S12\n1.0\n4.061060 -0.000000 0.000000\n0.000000 11.312553 0.000000\n0.000000 0.000000 11.825295\nCu Bi Pb S\n4 4 4 12\ndirect\n0.750000 0.793221 0.765703 Cu\n0.750000 0.706778 0.265703 Cu\n0.250000 0.293221 0.734296 Cu\n0.250000 0.206778 0.234296 Cu\n0.750000 0.319520 0.988135 Bi\n0.250000 0.819520 0.511865 Bi\n0.250000 0.680480 0.011865 Bi\n0.750000 0.180480 0.488135 Bi\n0.750000 0.986955 0.168402 Pb\n0.250000 0.486955 0.331598 Pb\n0.250000 0.013045 0.831598 Pb\n0.750000 0.513045 0.668402 Pb\n0.250000 0.143433 0.047060 S\n0.250000 0.444924 0.878999 S\n0.750000 0.201710 0.787217 S\n0.250000 0.055076 0.378999 S\n0.750000 0.944924 0.621000 S\n0.250000 0.356567 0.547060 S\n0.250000 0.798289 0.212783 S\n0.750000 0.298289 0.287217 S\n0.250000 0.701710 0.712782 S\n0.750000 0.555076 0.121000 S\n0.750000 0.856567 0.952939 S\n0.750000 0.643433 0.452939 S\n",
"nsites": 24,
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],
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"density": 7.0414206321191015,
"density_atomic": 0.044177305665297525,
"volume": 543.2653630312419,
"volume_molar": 13.631752025860996,
"formula_full": "Cu4 Bi4 Pb4 S12",
"formula_reduced": "CuBiPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.1115742616666668,
"spacegroup": 62
}
]
}