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{
"id": "mp-1187330",
"created_at": "2022-09-04T14:47:18.201551Z",
"structure_string": "Tb3 Np1\n1.0\n4.942461 0.000000 0.000000\n0.000000 4.942461 0.000000\n0.000000 0.000000 4.942461\nTb Np\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Np\n",
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{
"id": "mp-1185071",
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"spacegroup": 225
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{
"id": "mp-1186164",
"created_at": "2022-09-04T14:47:27.561912Z",
"structure_string": "Na1 Ce3\n1.0\n4.942165 0.000000 0.000000\n0.000000 4.942165 0.000000\n0.000000 0.000000 4.942165\nNa Ce\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n",
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"volume": 120.71235485682234,
"volume_molar": 18.173669810471345,
"formula_full": "Na1 Ce3",
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"updated_at": "2021-11-28T01:38:07.982000Z",
"spacegroup": 221
},
{
"id": "mp-1069751",
"created_at": "2022-09-04T14:41:16.442967Z",
"structure_string": "Pr2 Os3\n1.0\n2.267417 2.897394 0.000000\n-2.267417 2.897394 0.000000\n0.000000 1.573150 9.187007\nPr Os\n2 3\ndirect\n0.618960 0.618960 0.807901 Pr\n0.381040 0.381040 0.192099 Pr\n0.000000 0.000000 0.000000 Os\n0.699566 0.699566 0.463232 Os\n0.300434 0.300434 0.536768 Os\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Os-Pr",
"density": 11.727439125644144,
"density_atomic": 0.04142161297611089,
"volume": 120.7099299315952,
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"formula_full": "Pr2 Os3",
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"formula_anonymous": "A2B3",
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"updated_at": "2021-11-28T01:35:14.991000Z",
"spacegroup": 12
},
{
"id": "mp-867259",
"created_at": "2022-09-04T14:46:52.193394Z",
"structure_string": "Rh2 Cl4\n1.0\n5.689973 0.000000 0.000000\n0.000000 5.689973 0.000000\n0.000000 0.000000 3.728367\nRh Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.302620 0.302620 0.000000 Cl\n0.697380 0.697380 0.000000 Cl\n0.197380 0.802620 0.500000 Cl\n0.802620 0.197380 0.500000 Cl\n",
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"elements": [
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"chemical_system": "Cl-Rh",
"density": 4.7820986854262735,
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"volume": 120.70883725337357,
"volume_molar": 12.115426815262456,
"formula_full": "Rh2 Cl4",
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"updated_at": "2021-11-28T01:37:39.257000Z",
"spacegroup": 136
},
{
"id": "mp-1182061",
"created_at": "2022-09-04T14:42:23.564258Z",
"structure_string": "Ba1 Na1 H6 Ir1\n1.0\n0.000000 3.922549 3.922549\n3.922549 0.000000 3.922549\n3.922549 3.922549 0.000000\nBa Na H Ir\n1 1 6 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.784973 0.215027 0.215027 H\n0.215027 0.784973 0.215027 H\n0.784973 0.784973 0.215027 H\n0.215027 0.784973 0.784973 H\n0.784973 0.215027 0.784973 H\n0.215027 0.215027 0.784973 H\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
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"elements": [
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"Na",
"H",
"Ir"
],
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"density": 4.932893499378352,
"density_atomic": 0.07456025444691518,
"volume": 120.70774257359527,
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"formula_full": "Ba1 Na1 H6 Ir1",
"formula_reduced": "BaNaH6Ir",
"formula_anonymous": "ABCD6",
"energy": -38.12516286,
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"updated_at": "2021-11-28T01:35:47.089000Z",
"spacegroup": 216
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{
"id": "mp-980947",
"created_at": "2022-09-04T14:40:43.795365Z",
"structure_string": "Sr1 Ca1 Hg2\n1.0\n0.000000 3.922430 3.922430\n3.922430 0.000000 3.922430\n3.922430 3.922430 0.000000\nSr Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Ca",
"Hg"
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"chemical_system": "Ca-Hg-Sr",
"density": 7.276273216612097,
"density_atomic": 0.03314090700221892,
"volume": 120.69675702394579,
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"formula_full": "Sr1 Ca1 Hg2",
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"updated_at": "2021-11-28T01:35:10.348000Z",
"spacegroup": 225
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{
"id": "mp-631340",
"created_at": "2022-09-04T14:44:15.544280Z",
"structure_string": "Sr1 La1 Zr2\n1.0\n0.000000 3.922423 3.922423\n3.922423 0.000000 3.922423\n3.922423 3.922423 0.000000\nSr La Zr\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n",
"nsites": 4,
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"elements": [
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"updated_at": "2021-11-28T01:36:37.820000Z",
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{
"id": "mp-625404",
"created_at": "2022-09-04T14:41:02.813896Z",
"structure_string": "Al4 H4 O8\n1.0\n2.886900 0.000000 0.000000\n0.000000 4.914734 0.000000\n0.000000 0.000000 8.506431\nAl H O\n4 4 8\ndirect\n0.250000 0.396136 0.649423 Al\n0.250000 0.103864 0.149423 Al\n0.750000 0.603864 0.350577 Al\n0.750000 0.896136 0.850577 Al\n0.750000 0.370601 0.931150 H\n0.750000 0.129399 0.431150 H\n0.250000 0.629399 0.068850 H\n0.250000 0.870601 0.568850 H\n0.750000 0.208321 0.002431 O\n0.750000 0.291679 0.502431 O\n0.250000 0.791679 0.997569 O\n0.250000 0.708321 0.497569 O\n0.750000 0.950154 0.260195 O\n0.750000 0.549846 0.760195 O\n0.250000 0.049846 0.739805 O\n0.250000 0.450154 0.239805 O\n",
"nsites": 16,
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"elements": [
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"H",
"O"
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"chemical_system": "Al-H-O",
"density": 3.3013863171187965,
"density_atomic": 0.1325686522479942,
"volume": 120.69218271955454,
"volume_molar": 4.542658206054981,
"formula_full": "Al4 H4 O8",
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{
"id": "mp-979116",
"created_at": "2022-09-04T14:47:58.915180Z",
"structure_string": "Th3 Br1\n1.0\n-2.456307 2.456307 5.000956\n2.456307 -2.456307 5.000956\n2.456307 2.456307 -5.000956\nTh Br\n3 1\ndirect\n0.750000 0.250000 0.500000 Th\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Br\n",
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"density": 10.676838574502357,
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"volume": 120.69195345513522,
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"formula_full": "Th3 Br1",
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{
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"created_at": "2022-09-04T14:47:21.069342Z",
"structure_string": "Cd2 C2 O6\n1.0\n5.723471 -2.508372 0.000000\n5.723471 2.508372 0.000000\n4.624150 0.000000 4.203247\nCd C O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.491013 0.750000 0.008987 O\n0.750000 0.008987 0.491013 O\n0.991013 0.508987 0.250000 O\n0.508987 0.250000 0.991013 O\n0.250000 0.991013 0.508987 O\n0.008987 0.491013 0.750000 O\n",
"nsites": 10,
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"density": 4.7446058909785105,
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"volume": 120.68862467740928,
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"formula_full": "Cd2 C2 O6",
"formula_reduced": "CdCO3",
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"energy": -67.61938697,
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{
"id": "mp-1094746",
"created_at": "2022-09-04T14:46:04.911781Z",
"structure_string": "Sr1 Mg3\n1.0\n1.784341 -3.090569 0.000000\n1.784341 3.090569 0.000000\n0.000000 0.000000 10.942393\nSr Mg\n1 3\ndirect\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.228180 Mg\n0.000000 0.000000 0.771820 Mg\n",
"nsites": 4,
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"density": 2.2088194956530147,
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"volume": 120.68647509733292,
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"formula_full": "Sr1 Mg3",
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"energy": -5.84832058,
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"updated_at": "2021-11-28T01:37:20.080000Z",
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}
]
}