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{
"id": "mp-1113309",
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{
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{
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{
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{
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{
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{
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{
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"structure_string": "Bi1 Pt3\n1.0\n4.186495 0.000000 0.000000\n0.000000 4.186495 0.000000\n0.000000 0.000000 4.186495\nBi Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"Pt"
],
"chemical_system": "Bi-Pt",
"density": 17.974009488949633,
"density_atomic": 0.054514026474586766,
"volume": 73.37561098820524,
"volume_molar": 11.046956443049366,
"formula_full": "Bi1 Pt3",
"formula_reduced": "BiPt3",
"formula_anonymous": "AB3",
"energy": -22.02511323,
"energy_per_atom": -5.5062783075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.02511323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.791000Z",
"spacegroup": 221
},
{
"id": "mp-1523172",
"created_at": "2022-09-04T14:44:56.589348Z",
"structure_string": "Sm1 Eu1 Ti4 O12\n1.0\n5.486225 0.000000 0.000000\n0.000000 5.486225 0.000000\n0.000000 0.000000 7.707749\nSm Eu Ti O\n1 1 4 12\ndirect\n-0.000000 -0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Eu\n-0.000000 0.500000 0.750556 Ti\n0.000000 0.500000 0.249444 Ti\n0.500000 0.000000 0.750556 Ti\n0.500000 -0.000000 0.249444 Ti\n0.248821 0.248821 0.748868 O\n0.248821 0.248821 0.251132 O\n0.751179 0.751179 0.748868 O\n0.751179 0.751179 0.251132 O\n0.751179 0.248821 0.748868 O\n0.751179 0.248821 0.251132 O\n0.248821 0.751179 0.748868 O\n0.248821 0.751179 0.251132 O\n-0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Eu",
"Ti",
"O"
],
"chemical_system": "Eu-O-Sm-Ti",
"density": 4.908651044360767,
"density_atomic": 0.07758856360470325,
"volume": 231.99295313296508,
"volume_molar": 7.76163455052666,
"formula_full": "Sm1 Eu1 Ti4 O12",
"formula_reduced": "SmEuTi4O12",
"formula_anonymous": "ABC4D12",
"energy": -163.31857503,
"energy_per_atom": -9.073254168333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.07457503,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.1253499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.259000Z",
"spacegroup": 123
}
]
}