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{
"id": "jvasp-12450",
"created_at": "2022-09-04T14:37:20.144715Z",
"updated_at": "2022-09-04T14:37:20.144732Z",
"structure_string": "Pb2 C4 O8\n1.0\n-5.548317 0.036103 -0.006426\n2.291771 5.215189 -0.017979\n-0.188723 -2.459804 -6.371017\nPb C O\n2 4 8\ndirect\n0.268145 0.088287 0.257166 Pb\n0.731855 0.911714 0.742835 Pb\n0.123484 0.621812 0.494418 C\n0.876517 0.378189 0.505583 C\n0.354180 0.457024 0.955686 C\n0.645820 0.542977 0.044315 C\n0.878304 0.143299 0.433000 O\n0.121696 0.856702 0.567001 O\n0.308704 0.604590 0.873323 O\n0.691296 0.395411 0.126678 O\n0.181188 0.240540 0.974944 O\n0.818813 0.759461 0.025057 O\n0.683766 0.424979 0.585479 O\n0.316235 0.575022 0.414522 O\n",
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{
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"structure_string": "Mg2 V4 S8\n1.0\n6.267736 -0.000033 3.618704\n2.088116 5.911228 3.620610\n-0.001173 0.001495 7.239443\nMg V S\n2 4 8\ndirect\n0.874994 0.875019 0.874997 Mg\n0.125009 0.124979 0.125001 Mg\n0.500003 0.500000 0.499999 V\n0.500002 0.500001 -0.000000 V\n0.999999 0.499999 0.500000 V\n0.500000 0.000000 0.499999 V\n0.739215 0.738991 0.738993 S\n0.261005 0.260790 0.717199 S\n0.261012 0.717199 0.260785 S\n0.717200 0.261014 0.261001 S\n0.738988 0.282798 0.739217 S\n0.282803 0.738985 0.738998 S\n0.260787 0.261010 0.261004 S\n0.738997 0.739211 0.282798 S\n",
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{
"id": "jvasp-11638",
"created_at": "2022-09-04T14:37:27.838355Z",
"updated_at": "2022-09-04T14:37:27.838376Z",
"structure_string": "Ca2 V4 O8\n1.0\n6.187192 -0.015007 -0.076103\n3.080600 5.365768 -0.076103\n3.027126 1.747712 4.943276\nCa V O\n2 4 8\ndirect\n0.125000 0.625000 0.625001 Ca\n0.625000 0.124999 0.625001 Ca\n0.994449 0.994449 0.005551 V\n0.255550 0.255550 0.244450 V\n0.625000 0.624999 0.125001 V\n0.625000 0.624999 0.625001 V\n0.390819 0.390818 0.338079 O\n0.395597 0.877129 0.363637 O\n0.390819 0.390818 0.880285 O\n0.877129 0.395596 0.363637 O\n0.372870 0.854402 0.886366 O\n0.854403 0.372868 0.886366 O\n0.859181 0.859180 0.369717 O\n0.859181 0.859180 0.911924 O\n",
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"density_atomic": 0.0843407456227492,
"volume": 165.9933155277179,
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"formula_full": "Ca2 V4 O8",
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{
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"created_at": "2022-09-04T14:37:27.894045Z",
"updated_at": "2022-09-04T14:37:27.894067Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n6.540416 0.178968 0.291122\n3.425200 5.574682 0.291122\n3.559572 2.055120 5.812757\nMg Sb O\n2 4 8\ndirect\n0.125000 0.625000 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.976418 0.976417 0.023582 Sb\n0.273583 0.273583 0.226417 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.379060 0.379060 0.421649 O\n0.369244 0.874105 0.378325 O\n0.379060 0.379060 0.820233 O\n0.874106 0.369244 0.378325 O\n0.375895 0.880756 0.871675 O\n0.880757 0.375895 0.871675 O\n0.870940 0.870940 0.429767 O\n0.870940 0.870940 0.828350 O\n",
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"volume": 200.9189712658342,
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{
"id": "jvasp-11047",
"created_at": "2022-09-04T14:37:20.105671Z",
"updated_at": "2022-09-04T14:37:20.105693Z",
"structure_string": "Ca2 Co4 S8\n1.0\n6.197172 -0.000000 3.577939\n2.065724 5.842749 3.577939\n-0.000000 -0.000000 7.155878\nCa Co S\n2 4 8\ndirect\n0.874999 0.874999 0.875001 Ca\n0.125000 0.125000 0.125000 Ca\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500001 0.000000 0.500000 Co\n0.726914 0.726914 0.726917 S\n0.273085 0.273085 0.680746 S\n0.273086 0.680744 0.273087 S\n0.680745 0.273085 0.273087 S\n0.726913 0.319255 0.726914 S\n0.319255 0.726914 0.726914 S\n0.273085 0.273085 0.273086 S\n0.726914 0.726914 0.319255 S\n",
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"volume": 259.1037553002035,
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"formula_full": "Ca2 Co4 S8",
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{
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"updated_at": "2022-09-04T14:37:27.543149Z",
"structure_string": "Cr6 N8\n1.0\n-4.025176 -4.025176 -0.000000\n-4.025176 0.000000 -4.025176\n0.000000 -4.025176 -4.025176\nCr N\n6 8\ndirect\n0.625001 0.125000 0.125000 Cr\n0.375000 0.875001 0.875001 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.752919 0.741244 0.252919 N\n0.752919 0.252919 0.741244 N\n0.752919 0.252919 0.252919 N\n0.241244 0.252919 0.252919 N\n0.247081 0.258757 0.747082 N\n0.247081 0.747082 0.258757 N\n0.247081 0.747082 0.747082 N\n0.758757 0.747082 0.747082 N\n",
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"volume": 130.4321398580813,
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"formula_full": "Cr6 N8",
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{
"id": "jvasp-11602",
"created_at": "2022-09-04T14:37:12.697885Z",
"updated_at": "2022-09-04T14:37:12.697899Z",
"structure_string": "Al4 Fe2 O8\n1.0\n5.672464 0.021673 0.019385\n2.855002 4.901660 0.019385\n2.858316 1.650249 4.667611\nAl Fe O\n4 2 8\ndirect\n0.128930 0.128930 0.121070 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.499999 Al\n0.871071 0.871071 0.878928 Al\n0.000000 0.500000 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n0.263000 0.263000 0.239531 O\n0.263000 0.263000 0.734469 O\n0.267950 0.734973 0.248538 O\n0.734972 0.267949 0.248538 O\n0.265028 0.732051 0.751460 O\n0.732051 0.265028 0.751460 O\n0.737001 0.737001 0.265529 O\n0.737001 0.737001 0.760467 O\n",
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{
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"created_at": "2022-09-04T14:37:27.531809Z",
"updated_at": "2022-09-04T14:37:27.531832Z",
"structure_string": "Ba1 Zn1 Cr4 O8\n1.0\n2.683241 -4.647510 0.000000\n2.683241 4.647510 0.000000\n-0.000000 -0.000000 7.166785\nBa Zn Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.739868 Cr\n0.666667 0.333333 0.739868 Cr\n0.333333 0.666667 0.260131 Cr\n0.666667 0.333333 0.260131 Cr\n0.317733 0.317733 0.678248 O\n0.682267 -0.000000 0.678248 O\n-0.000000 0.682267 0.678248 O\n0.682267 0.682267 0.321751 O\n-0.000000 0.317733 0.321751 O\n0.317733 -0.000000 0.321751 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"formula_full": "Ba1 Zn1 Cr4 O8",
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{
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"created_at": "2022-09-04T14:37:27.648397Z",
"updated_at": "2022-09-04T14:37:27.648420Z",
"structure_string": "Sm2 Dy4 S8\n1.0\n7.285905 0.108107 -0.187247\n-2.326711 6.905253 0.187247\n-2.632484 -3.398573 5.886501\nSm Dy S\n2 4 8\ndirect\n0.125001 0.750000 0.875000 Sm\n0.375000 0.250000 0.625000 Sm\n0.250000 0.662898 0.412898 Dy\n0.750000 0.837102 0.087102 Dy\n0.587102 0.337102 0.250000 Dy\n0.912898 0.162898 0.749999 Dy\n0.992572 0.864037 0.499704 S\n-0.000295 0.364037 0.492573 S\n0.128536 0.135963 0.135668 S\n0.371464 0.507132 0.007427 S\n0.635668 0.635963 0.628536 S\n0.507427 0.007132 0.871464 S\n0.500296 0.992868 0.364332 S\n0.864332 0.492868 0.000295 S\n",
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{
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"structure_string": "Ca2 Ni4 O8\n1.0\n6.180154 -0.100053 -0.070748\n3.003429 5.202091 0.000000\n3.003429 1.734031 4.904577\nCa Ni O\n2 4 8\ndirect\n0.965022 0.011660 0.011659 Ca\n0.132261 0.622579 0.622579 Ca\n0.272740 0.242420 0.242420 Ni\n0.619288 0.120525 0.630094 Ni\n0.619288 0.630094 0.120525 Ni\n0.619288 0.630094 0.630094 Ni\n0.435263 0.362060 0.362060 O\n0.435263 0.362059 0.840618 O\n0.435263 0.840618 0.362060 O\n0.900447 0.366518 0.366517 O\n0.402235 0.865922 0.865922 O\n0.804547 0.443887 0.875783 O\n0.804547 0.875783 0.443887 O\n0.804547 0.875783 0.875783 O\n",
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{
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"structure_string": "Y2 Sn4 O8\n1.0\n5.522853 0.112756 -2.734853\n-1.458130 5.191579 -2.717822\n-0.049374 0.059971 6.843114\nY Sn O\n2 4 8\ndirect\n0.876946 0.126947 0.753891 Y\n0.123055 0.873054 0.246109 Y\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500001 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.755012 0.506649 0.856283 O\n0.101271 0.849634 0.856283 O\n0.244988 0.493351 0.143717 O\n0.898729 0.150367 0.143718 O\n0.501539 0.107253 0.360141 O\n0.858604 0.752886 0.360141 O\n0.141396 0.247115 0.639860 O\n0.498462 0.892748 0.639859 O\n",
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{
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"created_at": "2022-09-04T14:37:20.041494Z",
"updated_at": "2022-09-04T14:37:20.041521Z",
"structure_string": "Al2 Cu4 O8\n1.0\n5.082086 0.042206 2.865809\n1.693557 4.791789 2.865809\n0.059160 0.042206 5.834121\nAl Cu O\n2 4 8\ndirect\n0.625007 0.625007 0.625006 Al\n0.374994 0.374994 0.374993 Al\n0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 -0.000000 Cu\n-0.000000 0.000000 0.500000 Cu\n0.245050 0.751658 0.751656 O\n0.248343 0.248344 0.754950 O\n0.248344 0.754951 0.248343 O\n0.248341 0.248341 0.248341 O\n0.751658 0.751658 0.245049 O\n0.754951 0.248344 0.248343 O\n0.751657 0.245051 0.751656 O\n0.751660 0.751660 0.751658 O\n",
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}
]
}