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"results": [
{
"id": "jvasp-113112",
"created_at": "2022-09-04T14:38:44.621490Z",
"updated_at": "2022-09-04T14:38:44.621516Z",
"structure_string": "Cd2 Sb6 S11\n1.0\n3.852975 0.000000 0.000000\n0.000000 9.701295 0.634203\n0.000000 0.144060 12.840625\nCd Sb S\n2 6 11\ndirect\n0.500001 0.756939 0.268156 Cd\n-0.000000 0.280779 0.774085 Cd\n0.500001 0.225240 0.219984 Sb\n-0.000000 0.732351 0.722453 Sb\n-0.000000 0.566615 0.034874 Sb\n0.500001 0.471657 0.491516 Sb\n-0.000000 0.088265 0.493304 Sb\n0.500001 0.027976 0.953423 Sb\n-0.000000 0.316284 0.382392 S\n-0.000000 0.000336 0.819132 S\n0.500001 0.016478 0.345835 S\n0.500001 0.211163 0.601588 S\n0.500001 0.814687 0.604752 S\n0.500001 0.283363 0.909361 S\n-0.000000 0.663202 0.393502 S\n0.500001 0.642035 0.911116 S\n-0.000000 0.119010 0.119437 S\n-0.000000 0.783019 0.118004 S\n-0.000000 0.493600 0.644881 S\n",
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"structure_string": "Sr1 Mg6 Si1\n1.0\n7.455725 0.828512 0.000000\n-3.010350 5.214079 0.000000\n0.000000 0.000000 4.881361\nSr Mg Si\n1 6 1\ndirect\n0.099918 0.799959 0.250000 Sr\n0.625508 0.306221 0.250000 Mg\n0.625508 0.819285 0.250000 Mg\n0.347851 0.176031 0.750000 Mg\n0.347851 0.671821 0.750000 Mg\n0.911637 0.205819 0.750000 Mg\n0.769159 0.634580 0.750000 Mg\n0.272570 0.386285 0.250000 Si\n",
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"formula_full": "Sr1 Mg6 Si1",
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{
"id": "jvasp-113125",
"created_at": "2022-09-04T14:38:46.486192Z",
"updated_at": "2022-09-04T14:38:46.486218Z",
"structure_string": "Pr4 Mg2 Se8\n1.0\n7.204566 0.025408 -2.775685\n-3.386168 6.359268 -2.775685\n-0.015196 -0.025408 7.720749\nPr Mg Se\n4 2 8\ndirect\n0.875000 0.748692 0.373693 Pr\n0.498692 0.125000 0.873692 Pr\n0.375000 0.501308 0.626309 Pr\n0.251308 0.625000 0.126309 Pr\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500001 Mg\n0.504270 0.374919 0.266995 Se\n0.762725 0.495730 0.870649 Se\n0.107923 0.237275 0.733005 Se\n0.625082 0.892077 0.129352 Se\n0.245730 0.012725 0.370649 Se\n0.987275 0.357924 0.233007 Se\n0.642076 0.875082 0.629352 Se\n0.124918 0.754270 0.766995 Se\n",
"nsites": 14,
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"elements": [
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"density": 5.845168789017001,
"density_atomic": 0.039617159580617206,
"volume": 353.38222498034753,
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"formula_full": "Pr4 Mg2 Se8",
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"formula_anonymous": "AB2C4",
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{
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"created_at": "2022-09-04T14:37:48.392189Z",
"updated_at": "2022-09-04T14:37:48.392212Z",
"structure_string": "Li1 Nd2 Ga1\n1.0\n0.000000 3.695839 3.695839\n3.695839 -0.000000 3.695839\n3.695839 3.695839 -0.000000\nLi Nd Ga\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.249999 0.249999 0.249999 Ga\n",
"nsites": 4,
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{
"id": "jvasp-123777",
"created_at": "2022-09-04T14:38:55.255891Z",
"updated_at": "2022-09-04T14:38:55.255920Z",
"structure_string": "Yb1 Hf1\n1.0\n1.619372 -2.804834 -0.000000\n1.619372 2.804834 -0.000000\n-0.000000 0.000000 5.557070\nYb Hf\n1 1\ndirect\n0.666666 0.333333 0.250000 Yb\n0.333333 0.666666 0.750000 Hf\n",
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{
"id": "jvasp-29752",
"created_at": "2022-09-04T14:37:11.528603Z",
"updated_at": "2022-09-04T14:37:11.528627Z",
"structure_string": "Pb2 Cl2 F2\n1.0\n5.711778 -0.030564 -1.154930\n0.026365 4.506071 0.016400\n-1.434999 -0.013082 6.173922\nPb Cl F\n2 2 2\ndirect\n0.648542 0.750044 0.787104 Pb\n0.351461 0.249958 0.212896 Pb\n0.163591 0.750008 -0.190811 Cl\n0.836413 0.249994 0.190812 Cl\n0.551157 0.250000 0.626070 F\n0.448839 0.749998 0.373929 F\n",
"nsites": 6,
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"elements": [
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"spacegroup": 11
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{
"id": "jvasp-79898",
"created_at": "2022-09-04T14:37:16.752054Z",
"updated_at": "2022-09-04T14:37:16.752074Z",
"structure_string": "Ho1 Mg1 Tl2\n1.0\n0.000000 3.695767 3.695767\n3.695767 0.000000 3.695767\n3.695767 3.695767 -0.000000\nHo Mg Tl\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ho\n0.750002 0.750002 0.750002 Mg\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ho1 Mg1 Tl2",
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},
{
"id": "jvasp-4358",
"created_at": "2022-09-04T14:37:10.034359Z",
"updated_at": "2022-09-04T14:37:10.034388Z",
"structure_string": "Ga4 Se4\n1.0\n1.904003 -3.297831 0.000000\n1.904003 3.297831 0.000000\n0.000000 0.000000 16.078318\nGa Se\n4 4\ndirect\n0.000000 0.000000 0.923649 Ga\n0.000000 0.000000 0.076351 Ga\n0.666666 0.333332 0.576347 Ga\n0.666666 0.333332 0.423654 Ga\n0.666666 0.333332 0.149172 Se\n0.666666 0.333332 0.850828 Se\n0.333332 0.666666 0.350760 Se\n0.333332 0.666666 0.649240 Se\n",
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"formula_full": "Ga4 Se4",
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},
{
"id": "jvasp-2757",
"created_at": "2022-09-04T14:36:36.645471Z",
"updated_at": "2022-09-04T14:36:36.645497Z",
"structure_string": "Ba1 Mg2 P2\n1.0\n2.188279 -3.790210 0.000000\n2.188279 3.790210 0.000000\n0.000000 0.000000 7.607476\nBa Mg P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.376574 Mg\n0.333333 0.666667 0.623427 Mg\n0.666667 0.333333 0.723233 P\n0.333333 0.666667 0.276768 P\n",
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},
{
"id": "jvasp-110782",
"created_at": "2022-09-04T14:38:49.441539Z",
"updated_at": "2022-09-04T14:38:49.441558Z",
"structure_string": "Er2 In1 Hg1\n1.0\n4.526310 -0.000000 2.613266\n1.508770 4.267446 2.613266\n-0.000000 -0.000000 5.226532\nEr In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750001 0.750001 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-17978",
"created_at": "2022-09-04T14:38:12.056471Z",
"updated_at": "2022-09-04T14:38:12.056503Z",
"structure_string": "Pr3 In1 O1\n1.0\n5.015747 0.000000 0.000000\n-0.000000 5.015747 0.000000\n0.000000 -0.000000 5.015747\nPr In O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:36.976531Z",
"updated_at": "2022-09-04T14:37:36.976552Z",
"structure_string": "Cd1 Cu2 Sn1 Se4\n1.0\n5.375027 -0.000000 -2.447910\n-1.114835 5.258142 -2.447910\n0.005399 0.006663 7.136946\nCd Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250001 0.749999 0.500000 Cu\n0.750001 0.250000 0.500000 Cu\n0.500001 0.500000 0.000000 Sn\n0.395418 0.395417 0.281817 Se\n0.886401 0.886399 0.281817 Se\n0.113601 0.604582 0.718184 Se\n0.604583 0.113600 0.718184 Se\n",
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