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{
"id": "jvasp-94128",
"created_at": "2022-09-04T14:36:09.261366Z",
"updated_at": "2022-09-04T14:36:09.261392Z",
"structure_string": "Hf1 Mg6 Co1\n1.0\n6.335700 0.345905 0.000000\n-2.868287 4.968018 0.000000\n0.000000 0.000000 4.867629\nHf Mg Co\n1 6 1\ndirect\n0.136224 0.818112 0.250000 Hf\n0.638777 0.322080 0.250000 Mg\n0.638776 0.816695 0.250000 Mg\n0.335545 0.170575 0.750000 Mg\n0.335545 0.664971 0.750000 Mg\n0.894778 0.197389 0.750000 Mg\n0.834502 0.667251 0.750000 Mg\n0.185849 0.342924 0.250000 Co\n",
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{
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"updated_at": "2022-09-04T14:38:39.766073Z",
"structure_string": "Ho2 Zn1 Pd1\n1.0\n4.289379 0.000000 2.476474\n1.429793 4.044066 2.476474\n0.000000 -0.000000 4.952949\nHo Zn Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.749999 0.750001 0.749999 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500001 0.499999 Pd\n",
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{
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"updated_at": "2022-09-04T14:38:43.068354Z",
"structure_string": "Rb1 Ba3 Ga5 Se10 Cl2\n1.0\n7.843422 0.032790 -3.741626\n-1.846536 7.668806 -3.814266\n0.069311 -0.009561 9.957348\nRb Ba Ga Se Cl\n1 3 5 10 2\ndirect\n0.489089 0.353154 0.229889 Rb\n0.748483 0.874474 0.230277 Ba\n0.119556 0.508933 0.773511 Ba\n0.637312 0.236647 0.770061 Ba\n0.006897 0.002218 0.001125 Ga\n0.071103 0.474519 0.337635 Ga\n0.257759 0.852709 0.320859 Ga\n0.145177 0.935491 0.670294 Ga\n0.527747 0.735222 0.664808 Ga\n0.443387 0.953526 0.858097 Se\n0.045579 0.576068 0.139657 Se\n0.807733 0.716454 0.855468 Se\n0.042330 0.144887 0.851196 Se\n0.289440 0.936358 0.131079 Se\n0.167835 0.075379 0.511766 Se\n0.550811 0.823093 0.470438 Se\n0.931739 0.658583 0.496444 Se\n0.346778 0.447833 0.529011 Se\n0.865321 0.192778 0.153377 Se\n0.500311 0.507524 0.992881 Cl\n0.755605 0.244156 0.512123 Cl\n",
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],
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"density_atomic": 0.03493233350513335,
"volume": 601.1622440543237,
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"formula_full": "Rb1 Ba3 Ga5 Se10 Cl2",
"formula_reduced": "RbBa3Ga5(Se5Cl)2",
"formula_anonymous": "AB2C3D5E10",
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{
"id": "jvasp-74834",
"created_at": "2022-09-04T14:35:50.498773Z",
"updated_at": "2022-09-04T14:35:50.498788Z",
"structure_string": "Be1 Tl1 Pb2\n1.0\n-2.309584 2.309584 5.011732\n2.309584 -2.309584 5.011732\n2.309584 2.309584 -5.011732\nBe Tl Pb\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Pb\n0.250000 0.749999 0.499999 Pb\n",
"nsites": 4,
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],
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"volume": 106.93388737817943,
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},
{
"id": "jvasp-20361",
"created_at": "2022-09-04T14:37:40.415809Z",
"updated_at": "2022-09-04T14:37:40.415829Z",
"structure_string": "Dy1 Pd1\n1.0\n3.490132 0.000000 -0.000000\n-0.000000 3.490132 0.000000\n0.000000 0.000000 3.490132\nDy Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Pd\n",
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},
{
"id": "jvasp-20632",
"created_at": "2022-09-04T14:37:31.567284Z",
"updated_at": "2022-09-04T14:37:31.567300Z",
"structure_string": "Dy1 Pd1\n1.0\n3.490132 0.000000 -0.000000\n-0.000000 3.490132 0.000000\n0.000000 0.000000 3.490132\nDy Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Pd\n",
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"volume": 42.51337250203159,
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"formula_full": "Dy1 Pd1",
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{
"id": "jvasp-93321",
"created_at": "2022-09-04T14:36:10.253742Z",
"updated_at": "2022-09-04T14:36:10.253766Z",
"structure_string": "Ce2 Mg4\n1.0\n3.130048 -0.000000 -0.000000\n-1.565024 2.710701 -0.000000\n0.000000 0.000000 17.115040\nCe Mg\n2 4\ndirect\n0.333334 0.666667 0.174977 Ce\n0.333334 0.666667 0.825022 Ce\n0.333334 0.666667 0.500000 Mg\n0.000000 0.000000 0.346143 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.653857 Mg\n",
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"volume": 145.21468331500526,
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"formula_full": "Ce2 Mg4",
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"formula_anonymous": "AB2",
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"spacegroup": 187
},
{
"id": "jvasp-14315",
"created_at": "2022-09-04T14:37:07.015628Z",
"updated_at": "2022-09-04T14:37:07.015643Z",
"structure_string": "Yb8 S8 O4\n1.0\n0.000000 7.632895 0.039835\n6.527318 0.000000 0.000000\n0.000000 -1.439889 -7.844788\nYb S O\n8 8 4\ndirect\n0.774621 0.030861 0.842259 Yb\n0.725378 0.530861 0.157743 Yb\n0.225379 0.969139 0.157742 Yb\n0.274621 0.469139 0.842258 Yb\n0.640663 0.146422 0.414064 Yb\n0.859336 0.646422 0.585938 Yb\n0.359336 0.853578 0.585937 Yb\n0.140663 0.353578 0.414063 Yb\n0.461440 0.560945 0.371444 S\n0.038559 0.060945 0.628557 S\n0.538559 0.439055 0.628557 S\n0.961440 0.939055 0.371444 S\n0.003161 0.337926 0.027747 S\n0.503161 0.162074 0.027747 S\n0.496839 0.837926 0.972254 S\n0.996839 0.662075 0.972254 S\n0.846476 0.413788 0.383978 O\n0.153523 0.586212 0.616023 O\n0.346476 0.086212 0.383977 O\n0.653523 0.913788 0.616024 O\n",
"nsites": 20,
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"elements": [
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"density": 7.250084271673254,
"density_atomic": 0.05122016081879791,
"volume": 390.4712457025312,
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"formula_full": "Yb8 S8 O4",
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"spacegroup": 14
},
{
"id": "jvasp-37384",
"created_at": "2022-09-04T14:37:58.904429Z",
"updated_at": "2022-09-04T14:37:58.904444Z",
"structure_string": "Tm1 Mg2 Sc1\n1.0\n0.000000 3.652277 3.652277\n3.652277 0.000000 3.652277\n3.652277 3.652277 -0.000000\nTm Mg Sc\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.249999 0.249999 0.249999 Sc\n",
"nsites": 4,
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"formula_full": "Tm1 Mg2 Sc1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-113680",
"created_at": "2022-09-04T14:38:48.286174Z",
"updated_at": "2022-09-04T14:38:48.286200Z",
"structure_string": "Rb1 Al1 O1\n1.0\n7.524084 1.036977 0.000000\n1.616703 3.831676 0.000000\n0.000000 0.000000 3.943947\nRb Al O\n1 1 1\ndirect\n-0.108313 -0.003202 0.000000 Rb\n0.391167 0.003168 0.000000 Al\n0.136310 0.268293 0.000000 O\n",
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},
{
"id": "jvasp-8817",
"created_at": "2022-09-04T14:37:01.218293Z",
"updated_at": "2022-09-04T14:37:01.218324Z",
"structure_string": "Na2 Bi2 Se4\n1.0\n8.385214 0.000000 0.000000\n8.385214 7.376580 0.082054\n4.192606 4.956355 3.505495\nNa Bi Se\n2 2 4\ndirect\n0.999983 0.000000 -0.000000 Na\n0.750015 0.500000 -0.000001 Na\n0.499998 0.000000 -0.000000 Bi\n0.250001 0.500000 -0.000001 Bi\n0.256212 0.000042 0.487474 Se\n0.006229 0.500042 0.487474 Se\n0.743771 -0.000042 0.512524 Se\n0.493788 0.499959 0.512524 Se\n",
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"formula_full": "Na2 Bi2 Se4",
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},
{
"id": "jvasp-67655",
"created_at": "2022-09-04T14:35:44.872662Z",
"updated_at": "2022-09-04T14:35:44.872689Z",
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