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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4579",
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{
"id": "jvasp-44635",
"created_at": "2022-09-04T14:38:32.907785Z",
"updated_at": "2022-09-04T14:38:32.907802Z",
"structure_string": "Al3 Cr3 Sb2 O16\n1.0\n5.734118 0.013401 0.008665\n2.843046 4.979784 0.009786\n0.081421 0.044729 9.273125\nAl Cr Sb O\n3 3 2 16\ndirect\n0.165018 0.164961 0.795278 Al\n0.337291 0.832857 0.295935 Al\n0.832758 0.337424 0.295939 Al\n0.166615 0.657498 0.783972 Cr\n0.657570 0.166502 0.783849 Cr\n0.832444 0.832626 0.273487 Cr\n0.330462 0.330630 0.504822 Sb\n0.658153 0.658046 0.012385 Sb\n0.326932 0.834336 0.895960 O\n0.677067 0.677223 0.389628 O\n0.966073 0.526377 0.160678 O\n0.526322 0.966109 0.160652 O\n0.163258 0.163390 0.395447 O\n0.830661 0.830549 0.891432 O\n0.477373 0.042191 0.666334 O\n-0.001671 -0.001750 0.697604 O\n0.671054 0.167682 0.396761 O\n0.001079 0.001175 0.197885 O\n0.522180 0.522264 0.171698 O\n0.333210 0.333016 0.894329 O\n0.481798 0.481724 0.661040 O\n0.167512 0.671228 0.396792 O\n0.042226 0.477322 0.666397 O\n0.834426 0.326812 0.895980 O\n",
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"formula_full": "Al3 Cr3 Sb2 O16",
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{
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"structure_string": "Al3 Cr1\n1.0\n-1.889871 1.889871 4.045916\n1.889871 -1.889871 4.045916\n1.889871 1.889871 -4.045916\nAl Cr\n3 1\ndirect\n0.750001 0.249999 0.500002 Al\n0.249999 0.750001 0.500002 Al\n0.500001 0.500001 0.000000 Al\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
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"volume": 57.80177496547268,
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"formula_full": "Al3 Cr1",
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{
"id": "jvasp-61948",
"created_at": "2022-09-04T14:35:55.599339Z",
"updated_at": "2022-09-04T14:35:55.599357Z",
"structure_string": "Al3 Co20 B6\n1.0\n0.000000 5.227941 5.227941\n5.227941 -0.000000 5.227941\n5.227941 5.227941 -0.000000\nAl Co B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.659829 Co\n0.659829 0.340171 0.000000 Co\n0.340171 0.000000 0.659829 Co\n0.000000 0.659829 0.000000 Co\n0.000000 0.340171 0.000000 Co\n0.659829 0.000000 0.340171 Co\n0.340171 0.000000 0.000000 Co\n0.000000 0.340171 0.659829 Co\n0.000000 0.659829 0.340171 Co\n0.659829 0.000000 0.000000 Co\n0.617761 0.617761 0.617761 Co\n0.617761 0.617761 0.146715 Co\n0.146715 0.617761 0.617761 Co\n0.617761 0.146715 0.617761 Co\n0.382238 0.382238 0.382238 Co\n0.382238 0.382238 0.853285 Co\n0.382238 0.853285 0.382238 Co\n0.853285 0.382238 0.382238 Co\n0.000000 0.000000 0.340171 Co\n0.340171 0.659829 0.000000 Co\n0.277198 0.277198 0.722802 B\n0.722802 0.722802 0.277198 B\n0.277198 0.722802 0.277198 B\n0.722802 0.277198 0.722802 B\n0.277198 0.722802 0.722802 B\n0.722802 0.277198 0.277198 B\n",
"nsites": 29,
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"Co",
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"chemical_system": "Al-B-Co",
"density": 7.696099522365397,
"density_atomic": 0.10147895098046415,
"volume": 285.77354929085567,
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"formula_full": "Al3 Co20 B6",
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{
"id": "jvasp-107891",
"created_at": "2022-09-04T14:36:00.861870Z",
"updated_at": "2022-09-04T14:36:00.861891Z",
"structure_string": "Al3 Cd1\n1.0\n4.223820 0.000000 0.000000\n0.000000 4.223820 0.000000\n0.000000 0.000000 4.223820\nAl Cd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Cd\n",
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"elements": [
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},
{
"id": "jvasp-26046",
"created_at": "2022-09-04T14:38:35.401543Z",
"updated_at": "2022-09-04T14:38:35.401560Z",
"structure_string": "Al6 B4 Ru8\n1.0\n8.557340 0.000000 0.000000\n-0.000000 8.557340 -0.000000\n-0.000000 0.000000 2.943564\nAl B Ru\n6 4 8\ndirect\n0.000000 0.000000 0.499999 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.346740 0.499999 Al\n0.346740 0.000000 0.499999 Al\n0.653260 0.000000 0.499999 Al\n0.000000 0.653260 0.499999 Al\n0.693437 0.693437 0.499999 B\n0.693437 0.306564 0.499999 B\n0.306564 0.306564 0.499999 B\n0.306564 0.693437 0.499999 B\n0.243489 0.500000 0.000000 Ru\n0.823611 0.823611 0.000000 Ru\n0.823611 0.176389 0.000000 Ru\n0.176389 0.823611 0.000000 Ru\n0.176389 0.176389 0.000000 Ru\n0.500000 0.756511 0.000000 Ru\n0.756511 0.500000 0.000000 Ru\n0.500000 0.243489 0.000000 Ru\n",
"nsites": 18,
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"density": 7.809164762721847,
"density_atomic": 0.08350672407085118,
"volume": 215.55150438817265,
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"formula_full": "Al6 B4 Ru8",
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"formula_anonymous": "A2B3C4",
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{
"id": "jvasp-35108",
"created_at": "2022-09-04T14:37:38.990359Z",
"updated_at": "2022-09-04T14:37:38.990376Z",
"structure_string": "Al3 B1 N4\n1.0\n4.221559 -0.000000 -0.000000\n-0.000000 4.221559 0.000000\n-0.000000 0.000000 4.221559\nAl B N\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.772289 0.772289 0.227711 N\n0.772289 0.227711 0.772289 N\n0.227711 0.772289 0.772289 N\n0.227711 0.227711 0.227711 N\n",
"nsites": 8,
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"elements": [
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"density": 3.261769513771827,
"density_atomic": 0.10633381536803294,
"volume": 75.23476866047858,
"volume_molar": 5.663429586492984,
"formula_full": "Al3 B1 N4",
"formula_reduced": "Al3BN4",
"formula_anonymous": "AB3C4",
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"spacegroup": 215
},
{
"id": "jvasp-97524",
"created_at": "2022-09-04T14:36:19.944902Z",
"updated_at": "2022-09-04T14:36:19.944923Z",
"structure_string": "Al6 Bi10 Cl24\n1.0\n10.304841 0.010848 6.344566\n3.549737 9.674152 6.344566\n0.015518 0.010848 12.101364\nAl Bi Cl\n6 10 24\ndirect\n0.750000 0.224874 0.275126 Al\n0.250000 0.775126 0.724874 Al\n0.775126 0.724874 0.250000 Al\n0.224874 0.275126 0.750000 Al\n0.724874 0.250000 0.775126 Al\n0.275126 0.750000 0.224874 Al\n0.087967 0.250000 0.412033 Bi\n0.912033 0.750000 0.587967 Bi\n0.829412 0.829412 0.829412 Bi\n0.412033 0.087967 0.250000 Bi\n0.750000 0.587967 0.912033 Bi\n0.250000 0.412033 0.087967 Bi\n0.170588 0.170588 0.170588 Bi\n0.670588 0.670588 0.670588 Bi\n0.587968 0.912033 0.750000 Bi\n0.329412 0.329412 0.329412 Bi\n0.696695 0.267771 0.108991 Cl\n0.573245 0.194253 0.462416 Cl\n0.232229 0.803305 0.391010 Cl\n0.305748 0.926755 0.037585 Cl\n0.391010 0.232229 0.803305 Cl\n0.803305 0.391010 0.232229 Cl\n0.608991 0.767771 0.196695 Cl\n0.891010 0.303305 0.732229 Cl\n0.426756 0.805748 0.537584 Cl\n0.805748 0.537585 0.426756 Cl\n0.926755 0.037585 0.305748 Cl\n0.108991 0.696695 0.267771 Cl\n0.767771 0.196695 0.608990 Cl\n0.462416 0.573245 0.194253 Cl\n0.732229 0.891010 0.303305 Cl\n0.303305 0.732229 0.891009 Cl\n0.037585 0.305748 0.926755 Cl\n0.962416 0.694252 0.073245 Cl\n0.196695 0.608990 0.767771 Cl\n0.194253 0.462416 0.573245 Cl\n0.267771 0.108991 0.696695 Cl\n0.694252 0.073245 0.962415 Cl\n0.073245 0.962416 0.694252 Cl\n0.537585 0.426756 0.805748 Cl\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Al-Bi-Cl",
"density": 4.277200869432301,
"density_atomic": 0.03320852749985039,
"volume": 1204.5098958446804,
"volume_molar": 18.13432034897401,
"formula_full": "Al6 Bi10 Cl24",
"formula_reduced": "Al3Bi5Cl12",
"formula_anonymous": "A3B5C12",
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"spacegroup": 167
},
{
"id": "jvasp-33078",
"created_at": "2022-09-04T14:37:08.722453Z",
"updated_at": "2022-09-04T14:37:08.722473Z",
"structure_string": "Al6 Bi10 Br24\n1.0\n10.820129 0.111962 6.429685\n3.712224 10.164011 6.429685\n0.158338 0.111962 12.585347\nAl Bi Br\n6 10 24\ndirect\n0.769900 0.730100 0.250000 Al\n0.250000 0.769900 0.730100 Al\n0.230100 0.269900 0.750000 Al\n0.269900 0.750000 0.230100 Al\n0.730100 0.250000 0.769900 Al\n0.750000 0.230100 0.269900 Al\n0.250000 0.405321 0.094679 Bi\n0.094679 0.250000 0.405321 Bi\n0.405321 0.094679 0.250000 Bi\n0.750000 0.594678 0.905321 Bi\n0.327315 0.327314 0.327314 Bi\n0.594679 0.905321 0.750000 Bi\n0.827315 0.827314 0.827314 Bi\n0.672685 0.672685 0.672685 Bi\n0.172685 0.172685 0.172685 Bi\n0.905321 0.750000 0.594678 Bi\n0.309237 0.932317 0.039624 Br\n0.595648 0.771375 0.200561 Br\n0.799439 0.404352 0.228624 Br\n0.039625 0.309237 0.932318 Br\n0.690763 0.067682 0.960375 Br\n0.299439 0.728625 0.904352 Br\n0.190763 0.460375 0.567683 Br\n0.932318 0.039624 0.309237 Br\n0.904352 0.299439 0.728625 Br\n0.960375 0.690762 0.067682 Br\n0.728625 0.904352 0.299439 Br\n0.809237 0.539624 0.432317 Br\n0.567683 0.190762 0.460375 Br\n0.771375 0.200561 0.595648 Br\n0.700561 0.271375 0.095648 Br\n0.460375 0.567682 0.190762 Br\n0.539625 0.432317 0.809237 Br\n0.228625 0.799439 0.404352 Br\n0.432317 0.809237 0.539624 Br\n0.404352 0.228625 0.799439 Br\n0.067682 0.960375 0.690763 Br\n0.200561 0.595648 0.771375 Br\n0.095648 0.700561 0.271375 Br\n0.271375 0.095648 0.700561 Br\n",
"nsites": 40,
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"density_atomic": 0.029336187287223415,
"volume": 1363.5037030671303,
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"formula_full": "Al6 Bi10 Br24",
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{
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"created_at": "2022-09-04T14:36:40.023859Z",
"updated_at": "2022-09-04T14:36:40.023885Z",
"structure_string": "Al6 B2 C2\n1.0\n3.492372 -0.000000 0.000000\n-1.746185 3.024483 0.000000\n-0.000000 -0.000000 11.569204\nAl B C\n6 2 2\ndirect\n0.333332 0.666666 0.424415 Al\n0.666666 0.333333 0.575585 Al\n0.666666 0.333333 0.924415 Al\n0.333332 0.666666 0.075585 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.666666 0.333333 0.750000 C\n0.333332 0.666666 0.250000 C\n",
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"volume": 122.20110258901535,
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"formula_full": "Al6 B2 C2",
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{
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"created_at": "2022-09-04T14:36:46.324452Z",
"updated_at": "2022-09-04T14:36:46.324471Z",
"structure_string": "Al3 Au1\n1.0\n3.711191 0.001005 -3.326328\n-0.739516 3.636764 -3.326328\n-0.000821 -0.001005 4.983713\nAl Au\n3 1\ndirect\n0.750000 0.250000 0.499999 Al\n0.249999 0.749999 0.499998 Al\n0.499999 0.500000 -0.000001 Al\n0.000000 0.000000 0.000000 Au\n",
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},
{
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"created_at": "2022-09-04T14:38:20.640878Z",
"updated_at": "2022-09-04T14:38:20.640901Z",
"structure_string": "Al3 Ag1\n1.0\n4.086767 0.000000 0.000000\n0.000000 4.086767 0.000000\n0.000000 -0.000000 4.086767\nAl Ag\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Ag\n",
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"volume": 68.25581137389378,
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"formula_full": "Al3 Ag1",
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{
"id": "jvasp-2667",
"created_at": "2022-09-04T14:36:35.226466Z",
"updated_at": "2022-09-04T14:36:35.226483Z",
"structure_string": "Al2 Zn1 Te4\n1.0\n5.537331 -0.000001 -2.440335\n-1.075469 5.431887 -2.440335\n-0.070261 -0.085535 7.343083\nAl Zn Te\n2 1 4\ndirect\n0.250000 0.750001 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.000000 0.000000 0.000000 Zn\n0.401171 0.371073 0.267546 Te\n0.103528 0.598830 0.732455 Te\n0.628927 0.133627 0.732455 Te\n0.866374 0.896473 0.267546 Te\n",
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"spacegroup": 82
}
]
}