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{
"id": "mp-505766",
"created_at": "2022-09-04T14:44:48.154101Z",
"structure_string": "Sr2 Co2 O6\n1.0\n3.885068 -0.000003 3.885107\n-3.885067 3.885043 -0.000004\n-3.885061 0.000002 3.885099\nSr Co O\n2 2 6\ndirect\n0.750000 0.500000 0.750000 Sr\n0.250000 0.500000 0.250000 Sr\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.249994 0.000000 0.249994 O\n0.750006 0.000000 0.750006 O\n0.249995 0.499991 0.750004 O\n0.750005 0.500009 0.249996 O\n0.249996 0.000000 0.750004 O\n0.750004 0.000000 0.249996 O\n",
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{
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"structure_string": "La1 Ti2 O6\n1.0\n-2.746875 2.746875 3.885990\n2.746875 -2.746875 3.885990\n2.746875 2.746875 -3.885990\nLa Ti O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Ti\n0.750000 0.250000 0.500000 Ti\n0.518732 0.987503 0.000000 O\n0.481268 0.481268 0.468770 O\n0.012497 0.012497 0.531230 O\n0.987503 0.518732 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "La1 Ti2 O6",
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"spacegroup": 121
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{
"id": "mp-1071904",
"created_at": "2022-09-04T14:41:33.451230Z",
"structure_string": "Pr2 Cu4\n1.0\n-2.197067 3.594878 3.712406\n2.197067 -3.594878 3.712406\n2.197067 3.594878 -3.712406\nPr Cu\n2 4\ndirect\n0.212193 0.462193 0.750000 Pr\n0.787807 0.537807 0.250000 Pr\n0.385181 0.834707 0.550474 Cu\n0.614819 0.165293 0.449526 Cu\n0.215768 0.165293 0.050474 Cu\n0.784232 0.834707 0.949526 Cu\n",
"nsites": 6,
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"volume": 117.28511945034472,
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"formula_full": "Pr2 Cu4",
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"energy": -27.11665513,
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"spacegroup": 74
},
{
"id": "mp-1025457",
"created_at": "2022-09-04T14:41:08.387569Z",
"structure_string": "Hf1 Al5 Ni2\n1.0\n-2.007619 2.007619 7.274896\n2.007619 -2.007619 7.274896\n2.007619 2.007619 -7.274896\nHf Al Ni\n1 5 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.646601 0.146601 0.500000 Al\n0.353399 0.853399 0.500000 Al\n0.146601 0.646601 0.500000 Al\n0.853399 0.353399 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.239877 0.239877 0.000000 Ni\n0.760123 0.760123 0.000000 Ni\n",
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"formula_full": "Hf1 Al5 Ni2",
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"formula_anonymous": "AB2C5",
"energy": -44.57695672,
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"spacegroup": 139
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{
"id": "mp-1120796",
"created_at": "2022-09-04T14:44:15.321093Z",
"structure_string": "Li1 Ti2 Bi1 O6\n1.0\n4.871625 -2.708965 0.000000\n4.871625 2.708965 0.000000\n3.365250 0.000000 4.443683\nLi Ti Bi O\n1 2 1 6\ndirect\n0.702538 0.702538 0.702538 Li\n0.986362 0.986362 0.986362 Ti\n0.485964 0.485964 0.485964 Ti\n0.216084 0.216084 0.216084 Bi\n0.263342 0.822480 0.683308 O\n0.822480 0.683308 0.263342 O\n0.683308 0.263342 0.822480 O\n0.345085 0.766301 0.162734 O\n0.162734 0.345085 0.766301 O\n0.766301 0.162734 0.345085 O\n",
"nsites": 10,
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"elements": [
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"density": 5.771492712690318,
"density_atomic": 0.0852608562580774,
"volume": 117.2871167248291,
"volume_molar": 7.063195262514711,
"formula_full": "Li1 Ti2 Bi1 O6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:32.729000Z",
"spacegroup": 146
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{
"id": "mp-1219186",
"created_at": "2022-09-04T14:43:08.931542Z",
"structure_string": "Sm2 Fe1 Si3\n1.0\n2.008206 -3.478314 0.000000\n2.008206 3.478314 0.000000\n0.000000 0.000000 8.395752\nSm Fe Si\n2 1 3\ndirect\n0.666667 0.333333 0.243311 Sm\n0.666667 0.333333 0.756689 Sm\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.000000 Si\n0.333333 0.666667 0.500000 Si\n",
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"density": 6.240871250595718,
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"volume": 117.29152753749555,
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"formula_full": "Sm2 Fe1 Si3",
"formula_reduced": "Sm2FeSi3",
"formula_anonymous": "AB2C3",
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{
"id": "mp-1176491",
"created_at": "2022-09-04T14:42:42.776964Z",
"structure_string": "Mg2 Sn2 O6\n1.0\n4.995027 -2.669709 0.000000\n4.995027 2.669709 0.000000\n3.568138 0.000000 4.398412\nMg Sn O\n2 2 6\ndirect\n0.356844 0.356844 0.356844 Mg\n0.643156 0.643156 0.643156 Mg\n0.146984 0.146984 0.146984 Sn\n0.853016 0.853016 0.853016 Sn\n0.448505 0.756011 0.048252 O\n0.756011 0.048252 0.448505 O\n0.951748 0.551495 0.243989 O\n0.048252 0.448505 0.756011 O\n0.243989 0.951748 0.551495 O\n0.551495 0.243989 0.951748 O\n",
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"volume": 117.30801031398445,
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"formula_full": "Mg2 Sn2 O6",
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{
"id": "mp-2109",
"created_at": "2022-09-04T14:47:45.122809Z",
"structure_string": "Ce2 Pt4\n1.0\n0.000000 3.885372 3.885372\n3.885372 0.000000 3.885372\n3.885372 3.885372 0.000000\nCe Pt\n2 4\ndirect\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Ce\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.125000 0.125000 Pt\n",
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"volume": 117.30804955403399,
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{
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"structure_string": "Y3 Al1 C1\n1.0\n4.895271 0.000000 0.000000\n0.000000 4.895271 0.000000\n0.000000 0.000000 4.895271\nY Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
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{
"id": "mp-1094503",
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"structure_string": "Mg4 Zn2\n1.0\n1.546976 5.706052 0.000000\n-1.546976 5.706052 0.000000\n0.000000 1.764449 6.644913\nMg Zn\n4 2\ndirect\n0.825547 0.825547 0.119870 Mg\n0.135423 0.135423 0.462779 Mg\n0.864577 0.864577 0.537221 Mg\n0.174453 0.174453 0.880130 Mg\n0.525745 0.525745 0.200324 Zn\n0.474255 0.474255 0.799676 Zn\n",
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{
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{
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]
}