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{
"id": "mp-1094641",
"created_at": "2022-09-04T14:40:19.291161Z",
"structure_string": "Mg2 Ga4\n1.0\n1.520148 -2.632973 0.000000\n1.520148 2.632973 0.000000\n0.000000 0.000000 14.793525\nMg Ga\n2 4\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.666667 0.333333 0.917433 Ga\n0.666667 0.333333 0.582567 Ga\n0.333333 0.666667 0.417433 Ga\n0.333333 0.666667 0.082567 Ga\n",
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{
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"spacegroup": 186
},
{
"id": "mp-1225309",
"created_at": "2022-09-04T14:45:06.676902Z",
"structure_string": "Dy3 Mg1\n1.0\n3.546457 0.000000 0.000000\n0.000000 3.546457 0.000000\n0.000000 0.000000 9.416018\nDy Mg\n3 1\ndirect\n0.500000 0.500000 0.759919 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.240081 Dy\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 118.42862228525674,
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"formula_full": "Dy3 Mg1",
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"updated_at": "2021-11-28T01:36:56.800000Z",
"spacegroup": 123
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{
"id": "mp-30240",
"created_at": "2022-09-04T14:44:13.387065Z",
"structure_string": "Ca2 Co1 O3\n1.0\n2.316610 2.327625 0.000000\n-2.316610 2.327625 0.000000\n0.000000 1.514609 10.981519\nCa Co O\n2 1 3\ndirect\n0.562988 0.562988 0.798090 Ca\n0.437012 0.437012 0.201910 Ca\n0.000000 0.000000 0.000000 Co\n0.061501 0.061501 0.803533 O\n0.938499 0.938499 0.196467 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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"density_atomic": 0.050663232693693994,
"volume": 118.42907925507909,
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"formula_full": "Ca2 Co1 O3",
"formula_reduced": "Ca2CoO3",
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"spacegroup": 12
},
{
"id": "mp-35171",
"created_at": "2022-09-04T14:41:19.334828Z",
"structure_string": "Nb2 O4 F2\n1.0\n2.658992 4.820555 0.000000\n-2.658992 4.820555 0.000000\n0.000000 3.003469 4.620069\nNb O F\n2 4 2\ndirect\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.761820 0.821381 0.738509 O\n0.178618 0.238180 0.761491 O\n0.821381 0.761820 0.238509 O\n0.238180 0.178619 0.261491 O\n0.347307 0.652693 0.750000 F\n0.652693 0.347307 0.250000 F\n",
"nsites": 8,
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"elements": [
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"volume": 118.4383996071453,
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"formula_full": "Nb2 O4 F2",
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"energy_per_atom": -8.53408686375,
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"total_magnetization": 6.2e-06,
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"updated_at": "2021-11-28T01:35:17.217000Z",
"spacegroup": 15
},
{
"id": "mp-1206733",
"created_at": "2022-09-04T14:43:41.950846Z",
"structure_string": "Y2 O1 F1\n1.0\n3.724155 0.000000 0.000000\n0.000000 3.724155 0.000000\n0.000000 0.000000 8.539854\nY O F\n2 1 1\ndirect\n0.500000 0.500000 0.262256 Y\n0.500000 0.500000 0.737744 Y\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 F\n",
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"elements": [
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"O",
"F"
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"chemical_system": "F-O-Y",
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"density_atomic": 0.03377178759971228,
"volume": 118.44205724052577,
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"formula_full": "Y2 O1 F1",
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"energy": -29.04983199,
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"energy_uncorrected": -27.90083199,
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"updated_at": "2021-11-28T01:36:17.893000Z",
"spacegroup": 123
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{
"id": "mp-1219464",
"created_at": "2022-09-04T14:48:14.614634Z",
"structure_string": "Sb2 As2 Ru2\n1.0\n0.000000 0.000000 3.133294\n5.791749 0.140112 0.000000\n0.158104 6.530728 0.000000\nSb As Ru\n2 2 2\ndirect\n0.000000 0.183505 0.353971 Sb\n0.000000 0.816495 0.646029 Sb\n0.500000 0.677328 0.135213 As\n0.500000 0.322672 0.864787 As\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
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"elements": [
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"density": 8.348628684124463,
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"volume": 118.4453597470081,
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"formula_full": "Sb2 As2 Ru2",
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"formula_anonymous": "ABC",
"energy": -37.92099335,
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"updated_at": "2021-11-28T01:38:42.535000Z",
"spacegroup": 10
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{
"id": "mp-1216679",
"created_at": "2022-09-04T14:39:44.197034Z",
"structure_string": "U2 Sb1 Te1\n1.0\n6.815034 -2.261003 0.000000\n6.815034 2.261003 0.000000\n6.064908 0.000000 3.843660\nU Sb Te\n2 1 1\ndirect\n0.250448 0.250448 0.250448 U\n0.749552 0.749552 0.749552 U\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
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"density": 10.169349937235342,
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"formula_full": "U2 Sb1 Te1",
"formula_reduced": "U2SbTe",
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{
"id": "mp-27923",
"created_at": "2022-09-04T14:47:34.904713Z",
"structure_string": "Tb2 Cl2\n1.0\n9.684738 -1.885010 0.000000\n9.684738 1.885010 0.000000\n9.317845 0.000000 3.244253\nTb Cl\n2 2\ndirect\n0.215365 0.215365 0.215365 Tb\n0.784635 0.784635 0.784635 Tb\n0.391035 0.391035 0.391035 Cl\n0.608965 0.608965 0.608965 Cl\n",
"nsites": 4,
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"density": 5.449802189193032,
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"spacegroup": 166
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{
"id": "mp-1212857",
"created_at": "2022-09-04T14:42:45.348596Z",
"structure_string": "Eu1 Mg2 Ga2\n1.0\n-2.248322 2.248322 5.858522\n2.248322 -2.248322 5.858522\n2.248322 2.248322 -5.858522\nEu Mg Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.393409 0.393409 0.000000 Ga\n0.606591 0.606591 0.000000 Ga\n",
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{
"id": "mp-1183460",
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"structure_string": "Ca2 In1 Pb1\n1.0\n0.000000 3.898229 3.898229\n3.898229 0.000000 3.898229\n3.898229 3.898229 0.000000\nCa In Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "mp-1216919",
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"structure_string": "U2 Ga2 Au2\n1.0\n4.861376 0.000000 0.000000\n2.430688 -2.866391 4.240582\n-2.430688 -2.897554 -4.215641\nU Ga Au\n2 2 2\ndirect\n0.501659 0.736306 0.739623 U\n0.498341 0.263694 0.260377 U\n0.839064 0.157710 0.835838 Ga\n0.160936 0.842291 0.164162 Ga\n0.174265 0.324348 0.672879 Au\n0.825735 0.675652 0.327121 Au\n",
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"updated_at": "2021-11-28T01:38:22.068000Z",
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}
]
}