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{
"id": "mp-978950",
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"structure_string": "Sm2 Zn1 In1\n1.0\n0.000000 3.763905 3.763905\n3.763905 0.000000 3.763905\n3.763905 3.763905 0.000000\nSm Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
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{
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{
"id": "mp-980006",
"created_at": "2022-09-04T14:47:31.672919Z",
"structure_string": "Yb3 Os1\n1.0\n0.000000 3.576469 3.576469\n3.576469 0.000000 3.576469\n3.576469 3.576469 0.000000\nYb Os\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Os\n",
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"density": 12.874082260293672,
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"volume": 91.49416347335352,
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"formula_full": "Yb3 Os1",
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"updated_at": "2021-11-28T01:38:10.374000Z",
"spacegroup": 225
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{
"id": "mp-721815",
"created_at": "2022-09-04T14:41:45.817040Z",
"structure_string": "Hg2 S2 Br2\n1.0\n4.738145 0.000000 0.000000\n0.000000 6.773155 0.000000\n0.000000 2.778796 7.097353\nHg S Br\n2 2 2\ndirect\n0.750000 0.856333 0.250526 Hg\n0.250000 0.143667 0.749474 Hg\n0.750000 0.535278 0.514180 S\n0.250000 0.464722 0.485820 S\n0.750000 0.232176 0.024402 Br\n0.250000 0.767824 0.975598 Br\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Br-Hg-S",
"density": 4.557380966157069,
"density_atomic": 0.02634240865048884,
"volume": 227.7696045038257,
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"formula_full": "Hg2 S2 Br2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:21.062000Z",
"spacegroup": 11
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{
"id": "mp-1038816",
"created_at": "2022-09-04T14:45:34.539285Z",
"structure_string": "Ce2 Mg2\n1.0\n1.698810 5.589213 0.000000\n-1.698810 5.589213 0.000000\n0.000000 2.304337 5.486331\nCe Mg\n2 2\ndirect\n0.143441 0.143441 0.554048 Ce\n0.856559 0.856559 0.445952 Ce\n0.372756 0.372756 0.939801 Mg\n0.627244 0.627244 0.060199 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ce-Mg",
"density": 5.241177978265047,
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"volume": 104.18554569284713,
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"formula_full": "Ce2 Mg2",
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"updated_at": "2021-11-28T01:37:12.325000Z",
"spacegroup": 12
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{
"id": "mp-1097375",
"created_at": "2022-09-04T14:43:45.874966Z",
"structure_string": "Mn1 Be2 Os1\n1.0\n-4.555929 4.777428 6.617121\n4.555929 -4.777428 6.617121\n4.555929 4.777428 -6.617121\nMn Be Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.265715 0.265715 Be\n0.000000 0.734285 0.734285 Be\n0.000000 0.500000 0.500000 Os\n",
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"elements": [
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"Os"
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"density": 0.7586165118193939,
"density_atomic": 0.006943202406138344,
"volume": 576.1030380539794,
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"formula_full": "Mn1 Be2 Os1",
"formula_reduced": "MnBe2Os",
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"updated_at": "2021-11-28T01:36:18.290000Z",
"spacegroup": 71
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{
"id": "mp-560588",
"created_at": "2022-09-04T14:39:14.886141Z",
"structure_string": "Zn2 S2\n1.0\n1.924139 -3.332706 0.000000\n1.924139 3.332706 0.000000\n0.000000 0.000000 6.317452\nZn S\n2 2\ndirect\n0.333333 0.666667 0.500051 Zn\n0.666667 0.333333 0.000051 Zn\n0.333333 0.666667 0.125949 S\n0.666667 0.333333 0.625949 S\n",
"nsites": 4,
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"elements": [
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"chemical_system": "S-Zn",
"density": 3.995420460900116,
"density_atomic": 0.04936903055017653,
"volume": 81.02245386274244,
"volume_molar": 12.198215547051015,
"formula_full": "Zn2 S2",
"formula_reduced": "ZnS",
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"energy": -15.0317524,
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"updated_at": "2021-11-28T01:34:39.866000Z",
"spacegroup": 186
},
{
"id": "mp-1009734",
"created_at": "2022-09-04T14:39:23.132184Z",
"structure_string": "Rh1 N1\n1.0\n0.000000 2.310869 2.310869\n2.310869 0.000000 2.310869\n2.310869 2.310869 0.000000\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
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"elements": [
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"density": 7.865982120052272,
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"volume": 24.680614893243924,
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"formula_full": "Rh1 N1",
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"updated_at": "2021-11-28T01:34:42.141000Z",
"spacegroup": 216
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{
"id": "mp-1223844",
"created_at": "2022-09-04T14:45:57.880021Z",
"structure_string": "In2 Sb1 As1\n1.0\n7.516493 -2.269833 0.000000\n7.516493 2.269833 0.000000\n6.831048 0.000000 3.871252\nIn Sb As\n2 1 1\ndirect\n0.004911 0.004911 0.004911 In\n0.495133 0.495133 0.495133 In\n0.624691 0.624691 0.624691 Sb\n0.125265 0.125265 0.125265 As\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.3590987332702005,
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"volume": 132.09628424725267,
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"formula_full": "In2 Sb1 As1",
"formula_reduced": "In2SbAs",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:13.660000Z",
"spacegroup": 160
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{
"id": "mp-1097171",
"created_at": "2022-09-04T14:41:32.156017Z",
"structure_string": "Zn1 Si1 Ir2\n1.0\n-4.749961 5.109133 7.359165\n4.749961 -5.109133 7.359165\n4.749961 5.109133 -7.359165\nZn Si Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Si\n0.000000 0.227064 0.227064 Ir\n0.000000 0.772936 0.772936 Ir\n",
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"density": 1.110928844170511,
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"volume": 714.3742368883253,
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"formula_full": "Zn1 Si1 Ir2",
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{
"id": "mp-1183789",
"created_at": "2022-09-04T14:45:25.797493Z",
"structure_string": "Dy1 Lu1 Tl2\n1.0\n0.000000 3.768055 3.768055\n3.768055 0.000000 3.768055\n3.768055 3.768055 0.000000\nDy Lu Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.749999 0.749999 0.749999 Lu\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n",
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{
"id": "mp-11500",
"created_at": "2022-09-04T14:40:55.292274Z",
"structure_string": "Mn1 Ni1\n1.0\n2.916205 0.000000 0.000000\n0.000000 2.916205 0.000000\n0.000000 0.000000 2.916205\nMn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n",
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"updated_at": "2021-11-28T01:34:58.258000Z",
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]
}