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"results": [
{
"id": "jvasp-108810",
"created_at": "2022-09-04T14:38:20.522918Z",
"updated_at": "2022-09-04T14:38:20.522944Z",
"structure_string": "Al1 Cu1 Sn1 Se4\n1.0\n5.126550 0.016475 -4.611656\n-1.006707 5.026761 -4.611656\n-0.013459 -0.016475 6.895557\nAl Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.499999 Cu\n0.500000 0.500000 -0.000000 Sn\n0.095796 0.099452 0.445712 Se\n0.653740 0.650084 0.554287 Se\n0.349916 0.904204 0.003656 Se\n0.900547 0.346260 0.996343 Se\n",
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{
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"updated_at": "2022-09-04T14:38:53.796017Z",
"structure_string": "Rb4 Cu4 Te4 S12\n1.0\n10.570131 0.000000 0.000000\n-0.000000 7.103955 2.022549\n-0.000000 0.003138 8.083214\nRb Cu Te S\n4 4 4 12\ndirect\n0.239847 0.474456 0.883383 Rb\n0.760153 0.525545 0.116617 Rb\n0.739847 0.525545 0.616616 Rb\n0.260153 0.474456 0.383383 Rb\n0.249507 0.914661 0.520336 Cu\n0.750493 0.085340 0.479663 Cu\n0.749507 0.085340 0.979663 Cu\n0.250493 0.914661 0.020336 Cu\n0.999171 0.063928 0.732935 Te\n0.000828 0.936073 0.267064 Te\n0.499171 0.936074 0.767064 Te\n0.500828 0.063927 0.232936 Te\n0.938116 0.263260 0.914804 S\n0.060201 0.738542 0.548604 S\n0.939799 0.261459 0.451395 S\n0.560201 0.261459 0.951395 S\n0.439799 0.738542 0.048605 S\n0.729921 0.892978 0.776180 S\n0.270079 0.107023 0.223819 S\n0.229921 0.107023 0.723819 S\n0.770079 0.892978 0.276181 S\n0.438116 0.736741 0.585195 S\n0.561884 0.263260 0.414805 S\n0.061884 0.736741 0.085195 S\n",
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],
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"density": 4.080173206166361,
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"volume": 606.8993108789361,
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"formula_full": "Rb4 Cu4 Te4 S12",
"formula_reduced": "RbCuTeS3",
"formula_anonymous": "ABCD3",
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"spacegroup": 14
},
{
"id": "jvasp-120979",
"created_at": "2022-09-04T14:38:54.840999Z",
"updated_at": "2022-09-04T14:38:54.841028Z",
"structure_string": "Y1 Cl1 O1\n1.0\n4.450021 -0.000000 -0.000000\n-2.225010 3.853831 0.000000\n0.000000 -0.000000 4.423491\nY Cl O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Y\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.000000 O\n",
"nsites": 3,
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"elements": [
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"O"
],
"chemical_system": "Cl-O-Y",
"density": 3.0723250927839465,
"density_atomic": 0.03954589240522492,
"volume": 75.86122900601507,
"volume_molar": 15.228233310027255,
"formula_full": "Y1 Cl1 O1",
"formula_reduced": "YClO",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-36898",
"created_at": "2022-09-04T14:37:59.140562Z",
"updated_at": "2022-09-04T14:37:59.140579Z",
"structure_string": "Li1 Sn1 Cl3\n1.0\n5.020945 -0.031743 -0.042698\n0.212293 5.016989 -0.057224\n0.226392 0.230378 5.013408\nLi Sn Cl\n1 1 3\ndirect\n0.110089 0.122038 0.111835 Li\n0.490785 0.502804 0.492666 Sn\n0.136948 0.637106 0.139192 Cl\n0.137073 0.148996 0.627177 Cl\n0.625106 0.149059 0.139132 Cl\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.0471203805816853,
"density_atomic": 0.03954611407023213,
"volume": 126.43467297748202,
"volume_molar": 15.2281479522993,
"formula_full": "Li1 Sn1 Cl3",
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},
{
"id": "jvasp-29556",
"created_at": "2022-09-04T14:37:12.299733Z",
"updated_at": "2022-09-04T14:37:12.299749Z",
"structure_string": "Ga8 Se8\n1.0\n3.806824 -0.000000 -0.000000\n-1.903412 3.296806 0.000000\n-0.000000 0.000000 32.237122\nGa Se\n8 8\ndirect\n0.333333 0.666668 0.212570 Ga\n0.000000 0.000000 0.539285 Ga\n0.666667 0.333333 0.712570 Ga\n0.000000 0.000000 0.039285 Ga\n0.333333 0.666668 0.288739 Ga\n0.666667 0.333333 0.788739 Ga\n0.000000 0.000000 0.963125 Ga\n0.000000 0.000000 0.463125 Ga\n0.000000 0.000000 0.676236 Se\n0.666667 0.333333 0.926763 Se\n0.666667 0.333333 0.075665 Se\n0.000000 0.000000 0.325117 Se\n0.000000 0.000000 0.176236 Se\n0.333333 0.666668 0.575665 Se\n0.000000 0.000000 0.825117 Se\n0.333333 0.666668 0.426763 Se\n",
"nsites": 16,
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"elements": [
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"volume": 404.58749304493506,
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"formula_full": "Ga8 Se8",
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"spacegroup": 186
},
{
"id": "jvasp-39440",
"created_at": "2022-09-04T14:37:43.192068Z",
"updated_at": "2022-09-04T14:37:43.192085Z",
"structure_string": "Ru2 I2\n1.0\n1.916491 -3.319460 0.000000\n1.916491 3.319460 -0.000000\n-0.000000 -0.000000 7.949487\nRu I\n2 2\ndirect\n0.333333 0.666667 0.356599 Ru\n0.666667 0.333333 0.856599 Ru\n0.333333 0.666667 0.018401 I\n0.666667 0.333333 0.518402 I\n",
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"volume": 101.14474479646356,
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"formula_full": "Ru2 I2",
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},
{
"id": "jvasp-78992",
"created_at": "2022-09-04T14:36:42.849909Z",
"updated_at": "2022-09-04T14:36:42.849929Z",
"structure_string": "Tm3 V1\n1.0\n-2.615316 2.615316 3.696860\n2.615316 -2.615316 3.696860\n2.615316 2.615316 -3.696860\nTm V\n3 1\ndirect\n0.749999 0.249999 0.500000 Tm\n0.249999 0.749999 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
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"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-55222",
"created_at": "2022-09-04T14:38:36.227314Z",
"updated_at": "2022-09-04T14:38:36.227337Z",
"structure_string": "Ce6 Bi8 Pd6\n1.0\n8.195937 0.000000 -2.897701\n-4.097969 7.097889 -2.897701\n0.000000 0.000000 8.693103\nCe Bi Pd\n6 8 6\ndirect\n0.125000 0.875000 0.250000 Ce\n0.625000 0.750000 0.375000 Ce\n0.875000 0.250000 0.125000 Ce\n0.375000 0.625000 0.750000 Ce\n0.750000 0.375000 0.625000 Ce\n0.250000 0.125000 0.875000 Ce\n-0.000000 0.175145 0.500000 Bi\n0.500000 -0.000000 0.675145 Bi\n0.675145 0.500000 0.000000 Bi\n0.175145 0.500000 0.000000 Bi\n0.324855 0.324855 0.324855 Bi\n-0.000000 0.675145 0.500000 Bi\n0.500000 -0.000000 0.175145 Bi\n0.824855 0.824855 0.824855 Bi\n0.750000 0.875000 0.125000 Pd\n0.125000 0.750000 0.875000 Pd\n0.625000 0.375000 0.250000 Pd\n0.250000 0.625000 0.375000 Pd\n0.375000 0.250000 0.625000 Pd\n0.875000 0.125000 0.750000 Pd\n",
"nsites": 20,
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"elements": [
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"Bi",
"Pd"
],
"chemical_system": "Bi-Ce-Pd",
"density": 10.346727701655904,
"density_atomic": 0.03954825770731058,
"volume": 505.7112793189612,
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"formula_full": "Ce6 Bi8 Pd6",
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"formula_anonymous": "A3B3C4",
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{
"id": "jvasp-3972",
"created_at": "2022-09-04T14:36:53.319544Z",
"updated_at": "2022-09-04T14:36:53.319563Z",
"structure_string": "Pd1 S2 Cl6\n1.0\n4.393363 -0.102256 -0.072886\n-0.370506 6.624165 -0.030336\n-1.074835 -2.029181 7.858940\nPd S Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.316610 0.245978 0.218698 S\n0.683389 0.754021 0.781301 S\n0.735836 0.804610 0.550267 Cl\n0.313791 0.140285 0.837927 Cl\n0.686208 0.859714 0.162072 Cl\n0.084297 0.504336 0.220308 Cl\n0.915703 0.495663 0.779691 Cl\n0.264164 0.195389 0.449732 Cl\n",
"nsites": 9,
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"elements": [
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"volume": 227.56845003053587,
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"formula_full": "Pd1 S2 Cl6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 2
},
{
"id": "jvasp-9175",
"created_at": "2022-09-04T14:37:09.808279Z",
"updated_at": "2022-09-04T14:37:09.808297Z",
"structure_string": "Zn8 Sb8\n1.0\n6.322838 0.000000 0.000000\n0.000000 7.807475 0.000000\n0.000000 0.000000 8.195327\nZn Sb\n8 8\ndirect\n0.456157 0.107910 0.872744 Zn\n0.956157 0.392090 0.127257 Zn\n0.543843 0.607911 0.627257 Zn\n0.043843 0.892090 0.372744 Zn\n0.543843 0.892090 0.127257 Zn\n0.043843 0.607911 0.872744 Zn\n0.456157 0.392090 0.372744 Zn\n0.956157 0.107910 0.627257 Zn\n0.141801 0.083505 0.109522 Sb\n0.641801 0.416495 0.890479 Sb\n0.858199 0.583506 0.390479 Sb\n0.358199 0.916495 0.609522 Sb\n0.858199 0.916495 0.890479 Sb\n0.358199 0.583506 0.109522 Sb\n0.141801 0.416495 0.609522 Sb\n0.641801 0.083505 0.390479 Sb\n",
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"density": 6.145879777308569,
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"volume": 404.5655923228136,
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"formula_full": "Zn8 Sb8",
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{
"id": "jvasp-112652",
"created_at": "2022-09-04T14:38:41.627110Z",
"updated_at": "2022-09-04T14:38:41.627134Z",
"structure_string": "Rb3 Ag9 Sb4 S12\n1.0\n9.063967 0.056396 -3.559665\n-4.193051 8.035982 -3.559665\n-0.033946 -0.056396 9.737842\nRb Ag Sb S\n3 9 4 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.673309 0.673309 -0.000001 Rb\n0.326692 0.326691 -0.000000 Rb\n0.250000 0.750000 0.499999 Ag\n0.356115 0.500596 0.513327 Ag\n0.987269 0.842787 0.486671 Ag\n0.512726 0.004725 0.172661 Ag\n0.832063 0.340064 0.827338 Ag\n0.659935 0.487274 0.491998 Ag\n0.995275 0.167937 0.508000 Ag\n0.499403 0.012731 0.855518 Ag\n0.157213 0.643884 0.144481 Ag\n0.400104 0.134956 0.512251 Sb\n0.622705 0.887852 0.487748 Sb\n0.865045 0.377295 0.265148 Sb\n0.112147 0.599895 0.734851 Sb\n0.197079 0.883636 0.773066 S\n0.110569 0.424013 0.226933 S\n0.910521 0.116392 0.706031 S\n0.410360 0.204490 0.293968 S\n0.795510 0.089479 0.205871 S\n0.883608 0.589639 0.794128 S\n0.116364 0.889430 0.313443 S\n0.575986 0.802920 0.686555 S\n0.338308 0.687273 0.020964 S\n0.666309 0.317342 0.979035 S\n0.682657 0.661692 0.348966 S\n0.312726 0.333691 0.651033 S\n",
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{
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"created_at": "2022-09-04T14:37:40.591058Z",
"updated_at": "2022-09-04T14:37:40.591079Z",
"structure_string": "Sm2 Pb2 Au2\n1.0\n2.456766 -4.255244 -0.000000\n2.456766 4.255244 -0.000000\n-0.000000 0.000000 7.255743\nSm Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666668 0.250000 Pb\n0.666668 0.333334 0.750000 Pb\n0.333334 0.666668 0.750000 Au\n0.666668 0.333334 0.250000 Au\n",
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}
]
}