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{
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{
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{
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"structure_string": "Li4 Ag2 Sn4\n1.0\n-2.307682 2.307682 10.187015\n2.307682 -2.307682 10.187015\n2.307682 2.307682 -10.187015\nLi Ag Sn\n4 2 4\ndirect\n0.325786 0.325786 0.000000 Li\n0.075786 0.575786 0.500000 Li\n0.424214 0.924214 0.500000 Li\n0.674214 0.674214 0.000000 Li\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.828246 0.828246 0.000000 Sn\n0.578246 0.078246 0.500000 Sn\n0.921754 0.421754 0.500000 Sn\n0.171754 0.171754 0.000000 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Sn"
],
"chemical_system": "Ag-Li-Sn",
"density": 5.4969340631003485,
"density_atomic": 0.0460830418111926,
"volume": 216.99956441614952,
"volume_molar": 13.068019217727397,
"formula_full": "Li4 Ag2 Sn4",
"formula_reduced": "Li2AgSn2",
"formula_anonymous": "AB2C2",
"energy": -32.45452915,
"energy_per_atom": -3.245452915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.45452915,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0018365,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.497000Z",
"spacegroup": 141
},
{
"id": "mp-1217300",
"created_at": "2022-09-04T14:48:06.139591Z",
"structure_string": "Th1 Al2 Fe3\n1.0\n2.669239 -4.350143 0.000000\n2.669239 4.350143 0.000000\n0.000000 0.000000 4.122605\nTh Al Fe\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Th\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.160109 0.839891 0.000000 Fe\n0.839891 0.160109 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Th",
"density": 7.866259654668269,
"density_atomic": 0.06266983249090295,
"volume": 95.73984422043812,
"volume_molar": 9.609313637265846,
"formula_full": "Th1 Al2 Fe3",
"formula_reduced": "ThAl2Fe3",
"formula_anonymous": "AB2C3",
"energy": -42.10983794,
"energy_per_atom": -7.018306323333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.10983794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0625178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.024000Z",
"spacegroup": 65
}
]
}