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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:36:46.458000Z",
"spacegroup": 225
},
{
"id": "mp-862925",
"created_at": "2022-09-04T14:44:42.876241Z",
"structure_string": "Pm1 In1 Pt2\n1.0\n0.000000 3.461155 3.461155\n3.461155 0.000000 3.461155\n3.461155 3.461155 0.000000\nPm In Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"In",
"Pt"
],
"chemical_system": "In-Pm-Pt",
"density": 13.015473085281739,
"density_atomic": 0.048235507229167966,
"volume": 82.92646288544061,
"volume_molar": 12.48487080562598,
"formula_full": "Pm1 In1 Pt2",
"formula_reduced": "PmInPt2",
"formula_anonymous": "ABC2",
"energy": -22.91035536,
"energy_per_atom": -5.72758884,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -22.91035536,
"band_gap": 0.0,
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"total_magnetization": 0.0001368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.712000Z",
"spacegroup": 225
},
{
"id": "mp-850200",
"created_at": "2022-09-04T14:44:45.327092Z",
"structure_string": "Li3 Cr3 Fe1 O8\n1.0\n5.911910 -0.018151 0.051923\n2.907689 5.147466 0.051925\n2.961269 1.722221 4.857827\nLi Cr Fe O\n3 3 1 8\ndirect\n0.999997 0.000048 0.499945 Li\n0.999998 0.500035 0.999998 Li\n0.500001 0.000038 0.999974 Li\n0.499945 0.499891 0.000240 Cr\n0.000125 0.499976 0.499847 Cr\n0.499988 0.000187 0.499875 Cr\n0.500082 0.499899 0.499907 Fe\n0.255089 0.255082 0.263409 O\n0.744900 0.744894 0.736666 O\n0.269533 0.269471 0.715127 O\n0.267244 0.720386 0.258423 O\n0.720341 0.267298 0.258399 O\n0.279573 0.732718 0.741611 O\n0.732663 0.279618 0.741641 O\n0.730516 0.730454 0.284933 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.073328367081572,
"density_atomic": 0.10202435091803282,
"volume": 147.02372389559352,
"volume_molar": 5.902650402390932,
"formula_full": "Li3 Cr3 Fe1 O8",
"formula_reduced": "Li3Cr3FeO8",
"formula_anonymous": "AB3C3D8",
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"updated_at": "2021-11-28T01:36:46.108000Z",
"spacegroup": 166
}
]
}