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{
"id": "jvasp-74313",
"created_at": "2022-09-04T14:35:41.514456Z",
"updated_at": "2022-09-04T14:35:41.514486Z",
"structure_string": "Na2 Be1 Pb1\n1.0\n-2.458609 2.458609 3.477311\n2.458609 -2.458609 3.477311\n2.458609 2.458609 -3.477311\nNa Be Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Pb\n",
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{
"id": "jvasp-37903",
"created_at": "2022-09-04T14:37:53.369000Z",
"updated_at": "2022-09-04T14:37:53.369028Z",
"structure_string": "Ba3 Er1\n1.0\n-2.916987 2.916987 5.664191\n2.916987 -2.916987 5.664191\n2.916987 2.916987 -5.664191\nBa Er\n3 1\ndirect\n0.750000 0.250000 0.500002 Ba\n0.250000 0.750000 0.500002 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Er\n",
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{
"id": "jvasp-34921",
"created_at": "2022-09-04T14:37:17.765257Z",
"updated_at": "2022-09-04T14:37:17.765267Z",
"structure_string": "Na4 Ti2 Cl8\n1.0\n3.714849 0.000000 0.000000\n0.000000 6.924404 -0.000000\n0.000000 -0.000000 12.040286\nNa Ti Cl\n4 2 8\ndirect\n0.000000 0.413498 0.320954 Na\n0.000000 0.586501 0.679046 Na\n0.000000 0.913498 0.179046 Na\n0.000000 0.086502 0.820955 Na\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.256091 0.042674 Cl\n0.500000 0.880668 0.698481 Cl\n0.500000 0.119332 0.301519 Cl\n0.500000 0.380668 0.801519 Cl\n0.500000 0.619331 0.198481 Cl\n0.000000 0.756091 0.457326 Cl\n0.000000 0.243908 0.542674 Cl\n0.000000 0.743908 0.957326 Cl\n",
"nsites": 14,
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"elements": [
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"formula_full": "Na4 Ti2 Cl8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 55
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{
"id": "jvasp-80510",
"created_at": "2022-09-04T14:36:48.638212Z",
"updated_at": "2022-09-04T14:36:48.638235Z",
"structure_string": "Ca2 Mg2\n1.0\n5.569026 0.000000 -0.000000\n0.000000 3.932860 0.000000\n0.000000 0.000000 5.568914\nCa Mg\n2 2\ndirect\n0.750001 0.500000 0.250040 Ca\n0.250000 0.500000 0.749959 Ca\n0.750001 0.000000 0.750093 Mg\n0.250000 0.000000 0.249907 Mg\n",
"nsites": 4,
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"elements": [
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"volume": 121.97146595182572,
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"formula_full": "Ca2 Mg2",
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"spacegroup": 221
},
{
"id": "jvasp-78561",
"created_at": "2022-09-04T14:36:34.779403Z",
"updated_at": "2022-09-04T14:36:34.779429Z",
"structure_string": "Mg1 Ga1\n1.0\n3.083995 0.000000 0.000000\n0.000000 3.083995 0.000000\n0.000000 0.000000 3.997886\nMg Ga\n1 1\ndirect\n0.500001 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Ga-Mg",
"density": 4.106279997499371,
"density_atomic": 0.05259836677044994,
"volume": 38.023994332911705,
"volume_molar": 11.44929230651183,
"formula_full": "Mg1 Ga1",
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"spacegroup": 123
},
{
"id": "jvasp-54835",
"created_at": "2022-09-04T14:37:41.361933Z",
"updated_at": "2022-09-04T14:37:41.361952Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n4.245405 -0.000000 0.000000\n-2.122702 6.895957 -0.138236\n0.000000 -0.050097 10.211763\nCd Bi Se I\n2 2 4 2\ndirect\n-0.000000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.282865 0.565731 0.688425 Bi\n0.717134 0.434269 0.311574 Bi\n0.357211 0.714422 0.440223 Se\n0.642788 0.285578 0.559776 Se\n0.919866 0.839733 0.741681 Se\n0.080133 0.160267 0.258318 Se\n0.640328 0.280656 0.925123 I\n0.359671 0.719344 0.074876 I\n",
"nsites": 10,
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"density": 6.7349551383276705,
"density_atomic": 0.03345247945200673,
"volume": 298.93150414595425,
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"formula_full": "Cd2 Bi2 Se4 I2",
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"formula_anonymous": "ABCD2",
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{
"id": "jvasp-78814",
"created_at": "2022-09-04T14:37:10.633823Z",
"updated_at": "2022-09-04T14:37:10.633843Z",
"structure_string": "Pr1 Cd2\n1.0\n0.006590 0.003805 -3.479568\n-2.538998 -4.397602 -0.009606\n-2.538936 4.397567 0.000000\nPr Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499978 0.333316 0.666659 Cd\n0.500024 0.666684 0.333343 Cd\n",
"nsites": 3,
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"formula_full": "Pr1 Cd2",
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"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-14499",
"created_at": "2022-09-04T14:38:05.436744Z",
"updated_at": "2022-09-04T14:38:05.436769Z",
"structure_string": "Pr1 Cd2\n1.0\n2.537864 -4.395709 0.000000\n2.537864 4.395709 -0.000000\n0.000000 -0.000000 3.483371\nPr Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666666 0.500077 Cd\n0.666666 0.333332 0.499923 Cd\n",
"nsites": 3,
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"volume": 77.7189647217886,
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},
{
"id": "jvasp-115161",
"created_at": "2022-09-04T14:38:45.087502Z",
"updated_at": "2022-09-04T14:38:45.087534Z",
"structure_string": "K2 Te2\n1.0\n4.815235 -0.000000 0.000000\n0.000000 4.815235 -0.000000\n-0.000000 0.000000 6.989022\nK Te\n2 2\ndirect\n0.000000 0.000000 0.306614 K\n0.500000 0.500000 0.693388 K\n0.000000 0.000000 0.822659 Te\n0.500000 0.500000 0.177339 Te\n",
"nsites": 4,
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},
{
"id": "jvasp-78569",
"created_at": "2022-09-04T14:37:15.874517Z",
"updated_at": "2022-09-04T14:37:15.874540Z",
"structure_string": "Ca2 Mg2\n1.0\n5.573274 0.000000 0.000000\n0.000000 3.929295 0.000000\n-0.000000 0.000000 5.573738\nCa Mg\n2 2\ndirect\n0.749999 0.499999 0.250111 Ca\n0.250000 0.499999 0.749889 Ca\n0.749999 0.000000 0.750137 Mg\n0.250000 0.000000 0.249863 Mg\n",
"nsites": 4,
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},
{
"id": "jvasp-100152",
"created_at": "2022-09-04T14:36:36.815123Z",
"updated_at": "2022-09-04T14:36:36.815144Z",
"structure_string": "Ca2 Mg2\n1.0\n3.929097 0.000000 0.000000\n0.000000 5.573696 0.000000\n0.000000 -0.000000 5.574151\nCa Mg\n2 2\ndirect\n0.500000 0.750001 0.250125 Ca\n0.500000 0.250000 0.749875 Ca\n0.000000 0.750001 0.750195 Mg\n0.000000 0.250000 0.249805 Mg\n",
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{
"id": "jvasp-79483",
"created_at": "2022-09-04T14:37:17.679740Z",
"updated_at": "2022-09-04T14:37:17.679760Z",
"structure_string": "Ca2 Mg2\n1.0\n5.568279 0.000000 -0.000000\n0.000000 3.935838 0.000000\n-0.000000 0.000000 5.568772\nCa Mg\n2 2\ndirect\n0.750000 0.500000 0.249941 Ca\n0.250000 0.500000 0.750058 Ca\n0.750000 0.000000 0.749937 Mg\n0.250000 0.000000 0.250063 Mg\n",
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