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{
"id": "jvasp-117281",
"created_at": "2022-09-04T14:38:49.009885Z",
"updated_at": "2022-09-04T14:38:49.009904Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n4.836661 -0.066219 -2.848705\n1.601207 4.679338 -2.831413\n0.103826 0.047036 5.613284\nLi Co Ni O\n2 3 1 8\ndirect\n0.500007 0.500001 0.999989 Li\n0.000001 0.500000 0.499998 Li\n0.500000 1.000000 0.500002 Co\n0.499998 0.000002 0.000001 Co\n-0.000000 0.000001 0.500001 Co\n0.000001 0.999998 0.000002 Ni\n0.765115 0.210912 0.234897 O\n0.234886 0.789089 0.765106 O\n0.264858 0.210395 0.735127 O\n0.735141 0.789609 0.264877 O\n0.264942 0.205502 0.237105 O\n0.763023 0.205423 0.735172 O\n0.236978 0.794577 0.264834 O\n0.735058 0.794497 0.762900 O\n",
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{
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"structure_string": "Li2 V2 Ni2 O8\n1.0\n4.668330 0.000000 2.028107\n-0.000000 6.159700 0.000000\n-0.003284 -0.000000 5.089843\nLi V Ni O\n2 2 2 8\ndirect\n0.335428 0.750000 0.335427 Li\n0.664573 0.250000 0.664572 Li\n0.352307 0.250000 0.352306 V\n0.647694 0.750000 0.647693 V\n0.000000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234783 0.025708 0.234783 O\n0.234783 0.474292 0.234783 O\n0.765218 0.974292 0.765217 O\n0.765218 0.525708 0.765217 O\n0.731904 0.250000 0.233935 O\n0.766066 0.750000 0.268097 O\n0.233935 0.250000 0.731903 O\n0.268098 0.750000 0.766065 O\n",
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{
"id": "jvasp-120562",
"created_at": "2022-09-04T14:38:51.295965Z",
"updated_at": "2022-09-04T14:38:51.295977Z",
"structure_string": "Sm1 Mg2 Cr3 S8\n1.0\n6.386243 -0.009461 3.846197\n2.178858 6.003619 3.844052\n-0.004288 -0.001525 7.454615\nSm Mg Cr S\n1 2 3 8\ndirect\n0.500003 0.499990 0.500007 Sm\n0.875238 0.875201 0.875208 Mg\n0.124758 0.124804 0.124789 Mg\n0.499998 0.500004 0.000001 Cr\n0.000002 0.500002 0.499996 Cr\n0.499999 -0.000000 0.499999 Cr\n0.737149 0.737229 0.737216 S\n0.241142 0.241210 0.723126 S\n0.241158 0.723127 0.241216 S\n0.723110 0.241168 0.241158 S\n0.758847 0.276873 0.758792 S\n0.276886 0.758834 0.758842 S\n0.262852 0.262774 0.262778 S\n0.758856 0.758788 0.276870 S\n",
"nsites": 14,
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"volume": 286.09168549096205,
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},
{
"id": "jvasp-119395",
"created_at": "2022-09-04T14:38:51.109790Z",
"updated_at": "2022-09-04T14:38:51.109822Z",
"structure_string": "Li2 Co4 O7 F1\n1.0\n4.944561 0.055108 2.774325\n1.625868 4.669932 2.774325\n0.023302 0.016757 5.666905\nLi Co O F\n2 4 7 1\ndirect\n0.500179 0.500178 -0.003495 Li\n0.883911 0.883912 0.867341 Li\n0.114621 0.114621 0.134326 Co\n0.492981 0.003000 0.492117 Co\n0.003000 0.492981 0.492117 Co\n0.501669 0.501669 0.506056 Co\n0.737143 0.737143 0.287016 O\n0.752575 0.290544 0.713629 O\n0.290543 0.752575 0.713629 O\n0.717238 0.248018 0.282913 O\n0.250732 0.250732 0.271852 O\n0.248018 0.717238 0.282913 O\n0.259974 0.259975 0.720900 O\n0.746829 0.746829 0.739256 F\n",
"nsites": 14,
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"elements": [
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"F"
],
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"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-119258",
"created_at": "2022-09-04T14:38:50.248125Z",
"updated_at": "2022-09-04T14:38:50.248152Z",
"structure_string": "Co6 O8\n1.0\n4.947593 -0.188397 2.768128\n1.763539 4.501845 2.959579\n0.080384 -0.188734 5.670694\nCo O\n6 8\ndirect\n0.625002 0.625002 0.124995 Co\n0.124994 0.625003 0.625001 Co\n0.250095 0.249968 0.250024 Co\n-0.000095 0.000032 -0.000023 Co\n0.625001 0.124995 0.625002 Co\n0.625001 0.625003 0.625002 Co\n0.384939 0.845960 0.384905 O\n0.403999 0.865052 0.865824 O\n0.384162 0.384849 0.846012 O\n0.845998 0.384950 0.384176 O\n0.384868 0.384173 0.384969 O\n0.865837 0.865154 0.403987 O\n0.865060 0.404041 0.865095 O\n0.865131 0.865829 0.865032 O\n",
"nsites": 14,
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"elements": [
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"volume": 128.98482246371398,
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"formula_full": "Co6 O8",
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},
{
"id": "jvasp-120727",
"created_at": "2022-09-04T14:38:53.619593Z",
"updated_at": "2022-09-04T14:38:53.619626Z",
"structure_string": "K1 La2 Ag3 Te8\n1.0\n4.459547 0.000000 0.000000\n0.000000 4.459547 0.000000\n0.000000 0.000000 21.383240\nK La Ag Te\n1 2 3 8\ndirect\n0.000000 0.000000 0.737237 K\n0.000000 0.000000 0.197999 La\n0.500000 0.500000 -0.002231 La\n-0.000000 0.500000 0.584207 Ag\n0.500000 0.000000 0.584207 Ag\n0.500000 0.500000 0.495586 Ag\n0.500000 0.500000 0.670292 Te\n0.500000 0.000000 0.319962 Te\n0.500000 0.000000 0.875577 Te\n-0.000000 0.500000 0.319962 Te\n0.000000 0.000000 0.039902 Te\n0.500000 0.500000 0.154317 Te\n-0.000000 0.500000 0.875577 Te\n0.000000 0.000000 0.487343 Te\n",
"nsites": 14,
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"Te"
],
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"density_atomic": 0.03292100119278719,
"volume": 425.2604566311708,
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"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-116616",
"created_at": "2022-09-04T14:38:52.696304Z",
"updated_at": "2022-09-04T14:38:52.696337Z",
"structure_string": "K2 Rb1 Eu1 V2 O8\n1.0\n6.023910 0.000000 0.000000\n-3.011956 5.216858 0.000000\n-0.000000 -0.000000 7.659321\nK Rb Eu V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.682383 K\n0.666667 0.333333 0.317617 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Eu\n0.333333 0.666667 0.236457 V\n0.666667 0.333333 0.763543 V\n0.333333 0.666667 0.017665 O\n0.666667 0.333333 0.982335 O\n0.176590 0.823410 0.318126 O\n0.823410 0.176590 0.681873 O\n0.176590 0.353181 0.318126 O\n0.823409 0.646819 0.681873 O\n0.646819 0.823410 0.318126 O\n0.353181 0.176590 0.681873 O\n",
"nsites": 14,
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],
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{
"id": "jvasp-111943",
"created_at": "2022-09-04T14:38:53.168876Z",
"updated_at": "2022-09-04T14:38:53.168900Z",
"structure_string": "Li4 Fe2 F8\n1.0\n4.981479 -0.030255 -0.000000\n-4.172654 2.721215 0.000000\n0.000000 0.000000 9.798950\nLi Fe F\n4 2 8\ndirect\n0.623773 0.376226 0.063152 Li\n0.623773 0.376226 0.436848 Li\n0.376228 0.623774 0.563152 Li\n0.376228 0.623774 0.936848 Li\n0.875750 0.124248 0.250000 Fe\n0.124251 0.875752 0.750000 Fe\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.536069 0.463932 0.250000 F\n0.726358 0.273641 0.618532 F\n0.726358 0.273641 0.881468 F\n0.463932 0.536069 0.750000 F\n0.273643 0.726359 0.118532 F\n0.273643 0.726359 0.381468 F\n",
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"volume": 131.59433005279027,
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{
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"created_at": "2022-09-04T14:38:50.413399Z",
"updated_at": "2022-09-04T14:38:50.413426Z",
"structure_string": "Sr3 Sn3 Au8\n1.0\n7.655638 0.040771 4.858727\n6.157654 4.549039 4.858727\n0.097619 0.032436 9.795655\nSr Sn Au\n3 3 8\ndirect\n0.700623 0.700624 0.264264 Sr\n0.299376 0.299377 0.735737 Sr\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sn\n0.328249 0.328250 0.323567 Sn\n0.671750 0.671751 0.676434 Sn\n0.874099 0.874100 0.853582 Au\n0.125900 0.125900 0.146419 Au\n0.136141 0.136141 0.573988 Au\n0.863859 0.863859 0.426013 Au\n0.493772 0.493773 0.318625 Au\n0.506227 0.506228 0.681376 Au\n0.649059 0.649060 0.974181 Au\n0.350941 0.350941 0.025820 Au\n",
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],
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{
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"created_at": "2022-09-04T14:38:53.123275Z",
"updated_at": "2022-09-04T14:38:53.123301Z",
"structure_string": "Dy3 Ga8 Ir3\n1.0\n7.859456 0.004438 -2.201204\n-0.806571 3.974499 -7.083019\n-0.012994 -0.004438 8.161873\nDy Ga Ir\n3 8 3\ndirect\n0.500000 0.500000 0.000001 Dy\n0.168961 0.168961 0.000000 Dy\n0.831040 0.831040 0.000001 Dy\n0.091236 0.375426 0.715810 Ga\n0.908765 0.624575 0.284191 Ga\n0.659617 0.375426 0.284191 Ga\n0.340384 0.624574 0.715810 Ga\n0.797743 0.169751 0.627993 Ga\n0.202258 0.830250 0.372008 Ga\n0.541759 0.169751 0.372008 Ga\n0.458242 0.830250 0.627992 Ga\n0.000000 0.500000 0.500000 Ir\n0.778683 -0.000000 0.778683 Ir\n0.221318 -0.000000 0.221318 Ir\n",
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},
{
"id": "jvasp-121968",
"created_at": "2022-09-04T14:38:50.339416Z",
"updated_at": "2022-09-04T14:38:50.339425Z",
"structure_string": "Nd4 H10\n1.0\n4.953096 -0.017790 -4.501186\n-0.981490 4.854910 -4.501186\n0.014607 0.017790 6.692803\nNd H\n4 10\ndirect\n0.495958 0.995958 0.499999 Nd\n0.745958 0.745958 -0.000000 Nd\n0.004043 0.504043 0.500000 Nd\n0.254043 0.254043 -0.000000 Nd\n0.375001 0.354840 0.479840 H\n0.875001 0.895160 0.520159 H\n0.645160 0.125000 0.020160 H\n0.104841 0.625000 0.979840 H\n0.375000 0.895160 0.020159 H\n0.875001 0.354840 0.979840 H\n0.645161 0.625000 0.520159 H\n0.104841 0.125000 0.479840 H\n0.250001 0.750000 0.499999 H\n0.500000 0.500000 -0.000000 H\n",
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},
{
"id": "jvasp-120522",
"created_at": "2022-09-04T14:38:52.518107Z",
"updated_at": "2022-09-04T14:38:52.518136Z",
"structure_string": "Li2 Co4 O8\n1.0\n2.787963 -0.000000 0.418755\n-0.051780 4.835931 0.344736\n-0.021993 0.038766 9.636576\nLi Co O\n2 4 8\ndirect\n0.627113 0.544164 0.745776 Li\n0.872886 0.955836 0.254226 Li\n0.495846 0.496760 0.008309 Co\n0.004155 0.003241 0.991692 Co\n0.250000 0.750000 0.500001 Co\n0.750000 0.250000 0.500001 Co\n0.051495 0.672424 0.897012 O\n0.551833 0.191156 0.896336 O\n0.448506 0.827577 0.102989 O\n0.948167 0.308844 0.103666 O\n0.302306 0.096900 0.395388 O\n0.800715 0.601138 0.398571 O\n0.197694 0.403101 0.604613 O\n0.699285 0.898863 0.601431 O\n",
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}
]
}