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{
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{
"id": "jvasp-30542",
"created_at": "2022-09-04T14:37:29.149251Z",
"updated_at": "2022-09-04T14:37:29.149275Z",
"structure_string": "Fe2 O4\n1.0\n2.865107 0.000000 -0.000000\n-1.432554 2.481257 0.000000\n0.000000 -0.000000 11.025037\nFe O\n2 4\ndirect\n0.666668 0.333333 0.750000 Fe\n0.333335 0.666668 0.250000 Fe\n0.333335 0.666668 0.394467 O\n0.666668 0.333333 0.894467 O\n0.333335 0.666668 0.105533 O\n0.666668 0.333333 0.605533 O\n",
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{
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"structure_string": "Nb1 Fe3\n1.0\n3.559440 0.000000 0.000000\n0.000000 3.559440 -0.000000\n-1.779720 -1.779720 4.124313\nNb Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n",
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{
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"structure_string": "Ba2 Y1 Ti3 O8\n1.0\n3.990431 0.000000 0.000000\n0.000000 3.990431 0.000000\n0.000000 -0.000000 11.485401\nBa Y Ti O\n2 1 3 8\ndirect\n0.500000 0.500000 0.171181 Ba\n0.500000 0.500000 0.828820 Ba\n0.500000 0.500000 0.499999 Y\n0.000000 0.000000 0.353585 Ti\n0.000000 0.000000 0.000002 Ti\n0.000000 0.000000 0.646413 Ti\n0.000000 0.500000 0.372542 O\n0.500000 0.000000 0.372542 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.182787 O\n0.000000 0.500000 0.627458 O\n0.500000 0.000000 0.627458 O\n0.000000 0.000000 0.817213 O\n0.000000 0.500000 -0.000000 O\n",
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{
"id": "jvasp-23525",
"created_at": "2022-09-04T14:37:33.937902Z",
"updated_at": "2022-09-04T14:37:33.937926Z",
"structure_string": "Ta4 Mn4 P4\n1.0\n3.673877 0.000000 0.000000\n-0.000000 6.086161 0.000000\n0.000000 0.000000 7.011297\nTa Mn P\n4 4 4\ndirect\n0.250000 0.521681 0.678006 Ta\n0.750001 0.478319 0.321994 Ta\n0.250000 0.021681 0.821995 Ta\n0.750001 0.978319 0.178006 Ta\n0.750001 0.848538 0.560546 Mn\n0.250000 0.151461 0.439454 Mn\n0.750001 0.348538 0.939454 Mn\n0.250000 0.651461 0.060546 Mn\n0.250000 0.280906 0.121976 P\n0.750001 0.719094 0.878024 P\n0.250000 0.780906 0.378024 P\n0.750001 0.219094 0.621976 P\n",
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"density": 11.306433893051551,
"density_atomic": 0.07654464844791785,
"volume": 156.77124715211127,
"volume_molar": 7.8674876455896925,
"formula_full": "Ta4 Mn4 P4",
"formula_reduced": "TaMnP",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-10205",
"created_at": "2022-09-04T14:38:12.311692Z",
"updated_at": "2022-09-04T14:38:12.311717Z",
"structure_string": "Na4 Zn4 O6\n1.0\n0.000000 5.862666 -0.003267\n5.909937 0.000000 0.000000\n0.000000 -2.840637 -5.277494\nNa Zn O\n4 4 6\ndirect\n0.865687 0.343122 0.099083 Na\n0.865687 0.156879 0.599083 Na\n0.134313 0.656879 0.900916 Na\n0.134313 0.843122 0.400917 Na\n0.341558 0.124005 0.081051 Zn\n0.341557 0.375995 0.581050 Zn\n0.658442 0.875995 0.918949 Zn\n0.658443 0.624006 0.418949 Zn\n-0.000000 0.500000 0.500000 O\n0.646106 0.584663 0.756351 O\n0.353893 0.084662 0.743648 O\n0.353894 0.415338 0.243649 O\n0.000000 0.000000 0.000000 O\n0.646107 0.915338 0.256351 O\n",
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"volume": 182.9093883341955,
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"formula_full": "Na4 Zn4 O6",
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"spacegroup": 14
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{
"id": "jvasp-70654",
"created_at": "2022-09-04T14:36:13.237523Z",
"updated_at": "2022-09-04T14:36:13.237548Z",
"structure_string": "Sc1 Be2 Re1\n1.0\n2.750753 0.000000 0.000000\n0.000000 2.750753 0.000000\n-0.000000 0.000000 6.906685\nSc Be Re\n1 2 1\ndirect\n0.499999 0.499999 0.774419 Sc\n0.000000 0.000000 0.063471 Be\n0.499999 0.499999 0.216511 Be\n0.000000 0.000000 0.445601 Re\n",
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{
"id": "jvasp-38661",
"created_at": "2022-09-04T14:38:31.027786Z",
"updated_at": "2022-09-04T14:38:31.027802Z",
"structure_string": "Ni6 Sb2\n1.0\n2.657866 -4.603558 0.000000\n2.657866 4.603558 0.000000\n0.000000 -0.000000 4.271177\nNi Sb\n6 2\ndirect\n0.161565 0.323129 0.750001 Ni\n0.161565 0.838436 0.750001 Ni\n0.323129 0.161565 0.250000 Ni\n0.838437 0.676872 0.250000 Ni\n0.838436 0.161565 0.250000 Ni\n0.676872 0.838437 0.750001 Ni\n0.333334 0.666668 0.250000 Sb\n0.666668 0.333334 0.750001 Sb\n",
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"formula_full": "Ni6 Sb2",
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{
"id": "jvasp-50846",
"created_at": "2022-09-04T14:37:08.416389Z",
"updated_at": "2022-09-04T14:37:08.416411Z",
"structure_string": "Sr2 Li2 Nb4 O13\n1.0\n0.000000 3.999658 -0.000000\n1.999828 -1.999828 17.151040\n3.999658 0.000000 0.000000\nSr Li Nb O\n2 2 4 13\ndirect\n0.617475 0.234948 0.382526 Sr\n0.382526 0.765052 0.617475 Sr\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Li\n0.943373 0.886747 0.056627 Nb\n0.820469 0.640939 0.179532 Nb\n0.056627 0.113253 0.943374 Nb\n0.179532 0.359061 0.820469 Nb\n0.563294 0.126586 0.936707 O\n0.673700 0.347400 0.826301 O\n0.235006 0.470014 0.764995 O\n0.117634 0.235268 0.882366 O\n0.882366 0.764732 0.117635 O\n0.173700 0.347400 0.326301 O\n0.436706 0.873414 0.063294 O\n0.326300 0.652600 0.173700 O\n0.936707 0.873414 0.563294 O\n0.063293 0.126586 0.436707 O\n0.000000 0.000000 0.000000 O\n0.764994 0.529986 0.235006 O\n0.826300 0.652600 0.673700 O\n",
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"formula_full": "Sr2 Li2 Nb4 O13",
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{
"id": "jvasp-16912",
"created_at": "2022-09-04T14:36:53.931752Z",
"updated_at": "2022-09-04T14:36:53.931776Z",
"structure_string": "Fe2 O4\n1.0\n1.432810 -2.481701 -0.000000\n1.432810 2.481701 -0.000000\n0.000000 -0.000000 11.023134\nFe O\n2 4\ndirect\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.750000 Fe\n0.333333 0.666667 0.605507 O\n0.666667 0.333333 0.105507 O\n0.333333 0.666667 0.894493 O\n0.666667 0.333333 0.394493 O\n",
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},
{
"id": "jvasp-21810",
"created_at": "2022-09-04T14:37:29.292771Z",
"updated_at": "2022-09-04T14:37:29.292796Z",
"structure_string": "Ta4 Mn8\n1.0\n2.395659 -4.149403 0.000000\n2.395659 4.149403 -0.000000\n-0.000000 -0.000000 7.886281\nTa Mn\n4 8\ndirect\n0.333333 0.666667 0.937074 Ta\n0.666667 0.333333 0.437074 Ta\n0.666667 0.333333 0.062926 Ta\n0.333333 0.666667 0.562926 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.827996 0.172004 0.750000 Mn\n0.172004 0.344009 0.250000 Mn\n0.655991 0.827996 0.250000 Mn\n0.344009 0.172004 0.750000 Mn\n0.827996 0.655991 0.750000 Mn\n0.172004 0.827996 0.250000 Mn\n",
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{
"id": "jvasp-49565",
"created_at": "2022-09-04T14:37:19.366214Z",
"updated_at": "2022-09-04T14:37:19.366241Z",
"structure_string": "Al4 Bi6 O18\n1.0\n-5.257377 -0.001701 0.000586\n2.627052 5.038382 -0.028510\n0.001132 -0.805840 -13.808980\nAl Bi O\n4 6 18\ndirect\n0.970422 0.919086 0.756128 Al\n0.629687 0.247122 0.107760 Al\n0.617242 0.246302 0.607735 Al\n0.948673 0.919288 0.256136 Al\n0.333351 0.679760 0.149645 Bi\n0.697324 0.355390 0.849249 Bi\n0.019834 0.038166 0.487445 Bi\n0.657743 0.355379 0.349057 Bi\n0.346177 0.679082 0.649802 Bi\n0.018046 0.038076 0.987487 Bi\n0.737412 0.760135 0.865722 O\n0.214964 0.018924 0.646804 O\n0.374977 0.925886 0.029712 O\n0.987367 0.193777 0.345223 O\n0.653428 0.545228 0.686770 O\n0.335985 0.061591 0.210075 O\n0.989483 0.408162 0.561200 O\n0.892322 0.546177 0.186940 O\n0.123250 0.672906 0.777744 O\n0.206279 0.193635 0.845084 O\n0.804127 0.019946 0.147146 O\n0.477481 0.354784 0.503439 O\n0.549597 0.673115 0.277754 O\n0.419179 0.408805 0.061219 O\n0.022786 0.760435 0.366012 O\n0.725156 0.061148 0.710001 O\n0.551189 0.924833 0.529731 O\n0.878158 0.356114 0.003568 O\n",
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{
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"created_at": "2022-09-04T14:38:36.443046Z",
"updated_at": "2022-09-04T14:38:36.443062Z",
"structure_string": "Ca4 Ag2 Sb2 O12\n1.0\n0.000000 5.745107 0.077445\n7.648530 0.000000 0.000000\n0.000000 -1.309733 -5.964794\nCa Ag Sb O\n4 2 2 12\ndirect\n0.469271 0.750000 0.421357 Ca\n0.530729 0.250000 0.578642 Ca\n0.953893 0.750000 0.955090 Ca\n0.046108 0.250000 0.044909 Ca\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.346452 0.542471 0.669550 O\n0.598219 0.750000 0.073081 O\n0.653548 0.042471 0.330449 O\n0.096606 0.250000 0.441117 O\n0.121886 0.945620 0.231682 O\n0.878115 0.054380 0.768316 O\n0.121886 0.554380 0.231682 O\n0.346452 0.957529 0.669550 O\n0.903395 0.750000 0.558881 O\n0.653548 0.457529 0.330449 O\n0.878115 0.445620 0.768316 O\n0.401781 0.250000 0.926918 O\n",
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"formula_full": "Ca4 Ag2 Sb2 O12",
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}
]
}