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"updated_at": "2021-11-28T01:34:58.876000Z",
"spacegroup": 62
},
{
"id": "mp-3540",
"created_at": "2022-09-04T14:40:26.960426Z",
"structure_string": "Li8 Sn4 O12\n1.0\n4.654476 2.678973 0.000000\n-4.654476 2.678973 0.000000\n0.000000 1.824513 9.988141\nLi Sn O\n8 4 12\ndirect\n0.158845 0.315646 0.000901 Li\n0.684354 0.841155 0.499099 Li\n0.841155 0.684354 0.999099 Li\n0.315646 0.158845 0.500901 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.915135 0.084865 0.750000 Li\n0.084865 0.915135 0.250000 Li\n0.417184 0.582816 0.250000 Sn\n0.749746 0.250254 0.250000 Sn\n0.250254 0.749746 0.750000 Sn\n0.582816 0.417184 0.750000 Sn\n0.041872 0.227081 0.369698 O\n0.876343 0.395925 0.867009 O\n0.772919 0.958128 0.130302 O\n0.958128 0.772919 0.630302 O\n0.526951 0.693232 0.867051 O\n0.604075 0.123657 0.632991 O\n0.123657 0.604075 0.132991 O\n0.395925 0.876343 0.367009 O\n0.693232 0.526951 0.367051 O\n0.306768 0.473049 0.632949 O\n0.473049 0.306768 0.132949 O\n0.227081 0.041872 0.869698 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Sn",
"O"
],
"chemical_system": "Li-O-Sn",
"density": 4.815589686683862,
"density_atomic": 0.09635127137232148,
"volume": 249.08856580894482,
"volume_molar": 6.250193354199953,
"formula_full": "Li8 Sn4 O12",
"formula_reduced": "Li2SnO3",
"formula_anonymous": "AB2C3",
"energy": -144.07768541,
"energy_per_atom": -6.003236892083333,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -135.83368541,
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"updated_at": "2021-11-28T01:34:56.005000Z",
"spacegroup": 15
},
{
"id": "mp-1079308",
"created_at": "2022-09-04T14:40:26.963300Z",
"structure_string": "Sm2 As2 Ru2 O2\n1.0\n4.118477 0.000000 0.000000\n0.000000 4.118477 0.000000\n0.000000 0.000000 8.154811\nSm As Ru O\n2 2 2 2\ndirect\n0.000000 0.500000 0.634543 Sm\n0.500000 0.000000 0.365457 Sm\n0.000000 0.500000 0.160656 As\n0.500000 0.000000 0.839344 As\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"As",
"Ru",
"O"
],
"chemical_system": "As-O-Ru-Sm",
"density": 8.219842647023292,
"density_atomic": 0.05783660566206234,
"volume": 138.32070378997992,
"volume_molar": 10.412334353069056,
"formula_full": "Sm2 As2 Ru2 O2",
"formula_reduced": "SmAsRuO",
"formula_anonymous": "ABCD",
"energy": -63.48300176,
"energy_per_atom": -7.93537522,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -62.10900176,
"band_gap": 0.0,
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"total_magnetization": 2.41e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.699000Z",
"spacegroup": 129
}
]
}