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{
"id": "jvasp-52109",
"created_at": "2022-09-04T14:38:33.237808Z",
"updated_at": "2022-09-04T14:38:33.237824Z",
"structure_string": "Er10 Bi2 Pt4\n1.0\n6.956881 0.000000 -3.435656\n-1.696699 6.746808 -3.435656\n-0.041829 -0.053651 8.676645\nEr Bi Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 -0.000000 Er\n0.290726 0.790726 0.272887 Er\n0.482162 0.290726 0.272888 Er\n0.790726 0.982162 0.272887 Er\n0.517838 0.709274 0.727111 Er\n0.209274 0.017838 0.727111 Er\n0.017838 0.517838 0.727111 Er\n0.709274 0.209274 0.727111 Er\n0.982162 0.482162 0.272887 Er\n0.250000 0.250000 0.499999 Bi\n0.750000 0.750000 0.499999 Bi\n0.358864 0.858865 -0.000001 Pt\n0.141135 0.358865 -0.000000 Pt\n0.858864 0.641136 -0.000001 Pt\n0.641135 0.141136 -0.000000 Pt\n",
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{
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"updated_at": "2022-09-04T14:37:28.445386Z",
"structure_string": "Er10 Bi2 Pt4\n1.0\n6.957132 0.000000 -3.435780\n-1.696760 6.747051 -3.435780\n-0.042054 -0.053939 8.676504\nEr Bi Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 -0.000000 Er\n0.290727 0.790726 0.272889 Er\n0.482162 0.290726 0.272889 Er\n0.790726 0.982162 0.272889 Er\n0.517838 0.709273 0.727111 Er\n0.209274 0.017838 0.727111 Er\n0.017838 0.517838 0.727111 Er\n0.709274 0.209273 0.727111 Er\n0.982162 0.482162 0.272889 Er\n0.250000 0.250000 0.500000 Bi\n0.750000 0.750000 0.500000 Bi\n0.358870 0.858870 -0.000000 Pt\n0.141130 0.358870 -0.000000 Pt\n0.858870 0.641130 -0.000000 Pt\n0.641129 0.141130 -0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:36:47.352066Z",
"updated_at": "2022-09-04T14:36:47.352077Z",
"structure_string": "Ag2 Bi2 Se4\n1.0\n8.284293 0.000182 0.000094\n8.284457 7.207183 0.023143\n4.142298 4.815628 3.404802\nAg Bi Se\n2 2 4\ndirect\n0.499950 -0.000039 0.000132 Ag\n0.250050 0.500040 0.999866 Ag\n-0.000015 0.000014 0.000012 Bi\n0.750015 0.499986 -0.000014 Bi\n0.252343 0.000027 0.495280 Se\n0.747657 -0.000081 0.504808 Se\n0.497657 0.499975 0.504718 Se\n0.002343 0.500082 0.495190 Se\n",
"nsites": 8,
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"density": 7.791733448862454,
"density_atomic": 0.03953329315347773,
"volume": 202.36108256759894,
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"formula_full": "Ag2 Bi2 Se4",
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"formula_anonymous": "ABC2",
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"spacegroup": 141
},
{
"id": "jvasp-108167",
"created_at": "2022-09-04T14:35:50.661311Z",
"updated_at": "2022-09-04T14:35:50.661334Z",
"structure_string": "Mg2 Sc2 Se6\n1.0\n6.859132 0.461002 1.820605\n-3.879133 5.675609 1.820605\n0.188873 0.388939 6.443066\nMg Sc Se\n2 2 6\ndirect\n0.330291 0.669709 0.000001 Mg\n0.669709 0.330290 0.000001 Mg\n0.781297 0.781297 0.232147 Sc\n0.218703 0.218703 0.767855 Sc\n0.189044 0.885619 0.217052 Se\n0.810956 0.114381 0.782950 Se\n0.114381 0.810956 0.782950 Se\n0.885618 0.189043 0.217052 Se\n0.580918 0.580918 0.705369 Se\n0.419081 0.419081 0.294633 Se\n",
"nsites": 10,
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"volume": 252.9520925646674,
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"formula_full": "Mg2 Sc2 Se6",
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{
"id": "jvasp-99812",
"created_at": "2022-09-04T14:36:31.809833Z",
"updated_at": "2022-09-04T14:36:31.809863Z",
"structure_string": "Lu2 Tl1 In1\n1.0\n4.529695 -0.000000 2.615220\n1.509899 4.270637 2.615220\n-0.000000 0.000000 5.230440\nLu Tl In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.749999 0.750001 0.750000 Lu\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n",
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{
"id": "jvasp-56778",
"created_at": "2022-09-04T14:36:50.436923Z",
"updated_at": "2022-09-04T14:36:50.436960Z",
"structure_string": "Nd4 Mg3 Co2\n1.0\n0.000000 7.602847 -0.005063\n3.823153 0.000000 0.000000\n0.000000 -2.801204 -7.830586\nNd Mg Co\n4 3 2\ndirect\n0.603378 0.500000 0.819090 Nd\n0.904427 0.500000 0.275668 Nd\n0.095574 0.500000 0.724332 Nd\n0.396623 0.500000 0.180910 Nd\n0.705030 0.000000 0.497253 Mg\n0.294971 0.000000 0.502747 Mg\n0.000000 0.000000 0.000000 Mg\n0.350267 0.000000 0.893520 Co\n0.649734 0.000000 0.106480 Co\n",
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"volume": 227.6646695129991,
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"spacegroup": 10
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{
"id": "jvasp-108954",
"created_at": "2022-09-04T14:38:16.981670Z",
"updated_at": "2022-09-04T14:38:16.981685Z",
"structure_string": "Zn2 Pb4 N4\n1.0\n3.614783 -0.000000 0.000000\n0.000000 6.337174 0.000000\n-0.000000 -0.000000 11.042748\nZn Pb N\n2 4 4\ndirect\n0.749999 0.342638 0.750000 Zn\n0.250000 0.657361 0.250000 Zn\n0.749999 0.737735 0.969171 Pb\n0.749999 0.737735 0.530829 Pb\n0.250000 0.262265 0.030829 Pb\n0.250000 0.262265 0.469171 Pb\n0.749999 0.374965 0.585468 N\n0.749999 0.374965 0.914532 N\n0.250000 0.625034 0.414532 N\n0.250000 0.625034 0.085468 N\n",
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"density": 6.667083930240531,
"density_atomic": 0.039531653094189545,
"volume": 252.96184746369292,
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"formula_full": "Zn2 Pb4 N4",
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"spacegroup": 59
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{
"id": "jvasp-89950",
"created_at": "2022-09-04T14:35:47.369014Z",
"updated_at": "2022-09-04T14:35:47.369032Z",
"structure_string": "Er6 Co1 Te2\n1.0\n0.000000 0.000000 -3.871248\n-4.120695 -7.137252 0.000000\n-4.119574 7.136605 0.000000\nEr Co Te\n6 1 2\ndirect\n0.500000 0.603903 -0.000000 Er\n0.500000 0.396010 0.396003 Er\n0.500000 0.000006 0.603996 Er\n0.000000 -0.000057 0.234477 Er\n0.000000 0.234543 -0.000000 Er\n0.000000 0.765465 0.765522 Er\n0.500000 0.000239 -0.000000 Co\n0.000000 0.666673 0.333357 Te\n0.000000 0.333316 0.666642 Te\n",
"nsites": 9,
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"density": 9.610759211786068,
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"formula_full": "Er6 Co1 Te2",
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{
"id": "jvasp-102297",
"created_at": "2022-09-04T14:36:37.759248Z",
"updated_at": "2022-09-04T14:36:37.759271Z",
"structure_string": "Y1 Tm1 Cd2\n1.0\n4.529816 -0.000000 2.615290\n1.509939 4.270751 2.615290\n-0.000000 -0.000000 5.230581\nY Tm Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500000 Tm\n0.750001 0.750000 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:35:57.462983Z",
"updated_at": "2022-09-04T14:35:57.463009Z",
"structure_string": "Na4 Hg4\n1.0\n5.276650 0.000000 0.000000\n-0.000000 5.949696 -2.450703\n-0.000000 0.028910 6.434594\nNa Hg\n4 4\ndirect\n0.250000 0.160370 0.839630 Na\n0.750000 0.839631 0.160370 Na\n0.250000 0.629487 0.370514 Na\n0.750000 0.370514 0.629486 Na\n0.750000 0.874961 0.673450 Hg\n0.250000 0.125040 0.326549 Hg\n0.250000 0.673450 0.874960 Hg\n0.750000 0.326550 0.125040 Hg\n",
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{
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"created_at": "2022-09-04T14:36:52.529667Z",
"updated_at": "2022-09-04T14:36:52.529691Z",
"structure_string": "Sr1 Ca1 S2\n1.0\n4.152177 0.000000 -0.000000\n0.000000 4.152177 0.000000\n-0.000000 -0.000000 5.869476\nSr Ca S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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{
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"created_at": "2022-09-04T14:38:51.580475Z",
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"structure_string": "Na1 Ca1 As2\n1.0\n4.124598 0.000000 -0.000000\n0.000000 4.124598 0.000000\n0.000000 0.000000 5.948330\nNa Ca As\n1 1 2\ndirect\n0.500001 0.500001 0.557699 Na\n0.000000 0.000000 -0.047161 Ca\n-0.000000 0.000000 0.432360 As\n0.500001 0.500001 0.067102 As\n",
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