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{
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{
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{
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{
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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.58328181,
"band_gap": 0.6946999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.646000Z",
"spacegroup": 194
},
{
"id": "mp-1095406",
"created_at": "2022-09-04T14:46:11.497618Z",
"structure_string": "Ba3 Li4 Sb4\n1.0\n-2.529766 3.840130 8.303209\n2.529766 -3.840130 8.303209\n2.529766 3.840130 -8.303209\nBa Li Sb\n3 4 4\ndirect\n0.632398 0.132398 0.500000 Ba\n0.367602 0.867602 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.981677 0.675697 0.305980 Li\n0.018323 0.324303 0.694020 Li\n0.630283 0.324303 0.305980 Li\n0.369717 0.675697 0.694020 Li\n0.787014 0.787014 0.000000 Sb\n0.212986 0.212986 0.000000 Sb\n0.686250 0.500000 0.186250 Sb\n0.313750 0.500000 0.813750 Sb\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Sb"
],
"chemical_system": "Ba-Li-Sb",
"density": 4.7697526109802215,
"density_atomic": 0.03409262535106798,
"volume": 322.65042327270976,
"volume_molar": 17.664056956562163,
"formula_full": "Ba3 Li4 Sb4",
"formula_reduced": "Ba3(LiSb)4",
"formula_anonymous": "A3B4C4",
"energy": -40.39275704,
"energy_per_atom": -3.672068821818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.62475704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001948,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.613000Z",
"spacegroup": 71
}
]
}