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{
"id": "mp-1216728",
"created_at": "2022-09-04T14:42:24.659839Z",
"structure_string": "Ti2 Mn2 Sb2\n1.0\n2.287449 -3.961977 0.000000\n2.287449 3.961977 0.000000\n0.000000 0.000000 5.633080\nTi Mn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.750000 Mn\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
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"volume": 102.10318385155028,
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{
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{
"id": "mp-1077151",
"created_at": "2022-09-04T14:42:25.755586Z",
"structure_string": "Eu2 Zn2 Ge2\n1.0\n-2.179268 3.780435 4.332004\n2.179268 -3.780435 4.332004\n2.179268 3.780435 -4.332004\nEu Zn Ge\n2 2 2\ndirect\n0.750419 0.750419 0.000000 Eu\n0.249581 0.249581 0.000000 Eu\n0.332578 0.000000 0.332578 Zn\n0.667422 0.000000 0.667422 Zn\n0.832095 0.500000 0.332095 Ge\n0.167905 0.500000 0.667905 Ge\n",
"nsites": 6,
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"elements": [
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"density": 6.746760623736065,
"density_atomic": 0.042029090589944064,
"volume": 142.7582637592346,
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"formula_full": "Eu2 Zn2 Ge2",
"formula_reduced": "EuZnGe",
"formula_anonymous": "ABC",
"energy": -35.453132,
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"spacegroup": 71
},
{
"id": "mp-1077745",
"created_at": "2022-09-04T14:42:22.717711Z",
"structure_string": "Fe4 Ni2\n1.0\n0.000000 3.264143 3.264143\n3.264143 0.000000 3.264143\n3.264143 3.264143 0.000000\nFe Ni\n4 2\ndirect\n0.625000 0.625000 0.125000 Fe\n0.625000 0.125000 0.625000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
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"chemical_system": "Fe-Ni",
"density": 8.135211492055339,
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"volume": 69.55646875964705,
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"formula_full": "Fe4 Ni2",
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"energy": -44.36899706,
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"updated_at": "2021-11-28T01:35:44.469000Z",
"spacegroup": 227
},
{
"id": "mp-1018940",
"created_at": "2022-09-04T14:42:19.366817Z",
"structure_string": "Pr2 Se4\n1.0\n4.187245 0.000000 0.000000\n0.000000 4.187245 0.000000\n0.000000 0.000000 8.667653\nPr Se\n2 4\ndirect\n0.000000 0.500000 0.725512 Pr\n0.500000 0.000000 0.274488 Pr\n0.000000 0.500000 0.367086 Se\n0.500000 0.000000 0.632914 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
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"density": 6.530427477661703,
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"volume": 151.97013938295723,
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"formula_full": "Pr2 Se4",
"formula_reduced": "PrSe2",
"formula_anonymous": "AB2",
"energy": -35.08573655,
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"spacegroup": 129
},
{
"id": "mp-1206028",
"created_at": "2022-09-04T14:42:18.159460Z",
"structure_string": "U1 Pd1 Pt4\n1.0\n0.000000 3.747208 3.747208\n3.747208 0.000000 3.747208\n3.747208 3.747208 0.000000\nU Pd Pt\n1 1 4\ndirect\n0.250000 0.250000 0.250000 U\n0.000000 0.000000 0.000000 Pd\n0.625330 0.625330 0.625330 Pt\n0.625330 0.625330 0.124009 Pt\n0.625330 0.124009 0.625330 Pt\n0.124009 0.625330 0.625330 Pt\n",
"nsites": 6,
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"elements": [
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"Pd",
"Pt"
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"density": 17.748644116781556,
"density_atomic": 0.05701614535743097,
"volume": 105.23335034991126,
"volume_molar": 10.562167474226014,
"formula_full": "U1 Pd1 Pt4",
"formula_reduced": "UPdPt4",
"formula_anonymous": "ABC4",
"energy": -44.10431351,
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"updated_at": "2021-11-28T01:35:31.540000Z",
"spacegroup": 216
},
{
"id": "mp-1072518",
"created_at": "2022-09-04T14:42:23.411307Z",
"structure_string": "In4 Cu2\n1.0\n-3.593269 3.593269 2.550470\n3.593269 -3.593269 2.550470\n3.593269 3.593269 -2.550470\nIn Cu\n4 2\ndirect\n0.152871 0.652871 0.805741 In\n0.847129 0.347129 0.194259 In\n0.347129 0.152871 0.500000 In\n0.652871 0.847129 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n",
"nsites": 6,
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"elements": [
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"Cu"
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"density": 7.3919109128024365,
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"volume": 131.72241125924214,
"volume_molar": 13.220848364162748,
"formula_full": "In4 Cu2",
"formula_reduced": "In2Cu",
"formula_anonymous": "AB2",
"energy": -18.38835461,
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"spacegroup": 140
},
{
"id": "mp-568920",
"created_at": "2022-09-04T14:42:20.755582Z",
"structure_string": "Ca1 Au5\n1.0\n0.000000 3.945475 3.945475\n3.945475 0.000000 3.945475\n3.945475 3.945475 0.000000\nCa Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.125749 0.624750 0.624750 Au\n0.624750 0.125749 0.624750 Au\n0.250000 0.250000 0.250000 Au\n0.624750 0.624750 0.125749 Au\n0.624750 0.624750 0.624750 Au\n",
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],
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"density": 13.855024649668536,
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"volume": 122.8366272120081,
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"formula_full": "Ca1 Au5",
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"energy": -20.8185393,
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"spacegroup": 216
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{
"id": "mp-1094392",
"created_at": "2022-09-04T14:42:28.711805Z",
"structure_string": "Y5 Mg1\n1.0\n3.103178 -5.374861 0.000000\n3.103178 5.374861 0.000000\n0.000000 0.000000 5.597487\nY Mg\n5 1\ndirect\n0.676436 0.000000 0.500000 Y\n0.323564 0.323564 0.500000 Y\n0.000000 0.676436 0.500000 Y\n0.666667 0.333333 0.000000 Y\n0.333333 0.666667 0.000000 Y\n0.000000 0.000000 0.000000 Mg\n",
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"density": 4.1693793782411115,
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"volume": 186.7226551625377,
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"spacegroup": 189
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{
"id": "mp-1077735",
"created_at": "2022-09-04T14:42:23.337365Z",
"structure_string": "La2 Sn4\n1.0\n2.340415 -7.641082 0.000000\n2.340415 7.641082 0.000000\n0.000000 0.000000 4.825745\nLa Sn\n2 4\ndirect\n0.148369 0.851631 0.000000 La\n0.851631 0.148369 0.000000 La\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.326106 0.673894 0.500000 Sn\n0.673894 0.326106 0.500000 Sn\n",
"nsites": 6,
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"formula_full": "La2 Sn4",
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{
"id": "mp-1221937",
"created_at": "2022-09-04T14:42:18.429891Z",
"structure_string": "Mn2 Ni1 O3\n1.0\n-1.560529 2.207501 4.658160\n1.560529 -2.207501 4.658160\n1.560529 2.207501 -4.658160\nMn Ni O\n2 1 3\ndirect\n0.665340 0.665340 0.000000 Mn\n0.334660 0.334660 0.000000 Mn\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 O\n0.158294 0.658294 0.500000 O\n0.841706 0.341706 0.500000 O\n",
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"formula_full": "Mn2 Ni1 O3",
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"updated_at": "2021-11-28T01:35:45.252000Z",
"spacegroup": 71
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{
"id": "mp-27702",
"created_at": "2022-09-04T14:42:24.561268Z",
"structure_string": "In2 Cl2 O2\n1.0\n3.577984 0.000000 0.000000\n0.000000 4.157983 0.000000\n0.000000 0.000000 8.662753\nIn Cl O\n2 2 2\ndirect\n0.000000 0.000000 0.116477 In\n0.500000 0.500000 0.883523 In\n0.000000 0.500000 0.673112 Cl\n0.500000 0.000000 0.326888 Cl\n0.500000 0.000000 0.957289 O\n0.000000 0.500000 0.042711 O\n",
"nsites": 6,
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"volume": 128.8774798790827,
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"formula_full": "In2 Cl2 O2",
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"updated_at": "2021-11-28T01:35:46.592000Z",
"spacegroup": 59
}
]
}