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{
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"updated_at": "2021-11-28T01:34:33.981000Z",
"spacegroup": 194
},
{
"id": "mp-973876",
"created_at": "2022-09-04T14:39:49.675601Z",
"structure_string": "Pa2 Bi6\n1.0\n3.336702 -5.779338 0.000000\n3.336702 5.779338 0.000000\n0.000000 0.000000 6.085959\nPa Bi\n2 6\ndirect\n0.333333 0.666667 0.750000 Pa\n0.666667 0.333333 0.250000 Pa\n0.171887 0.343773 0.250000 Bi\n0.656227 0.828113 0.250000 Bi\n0.171887 0.828113 0.250000 Bi\n0.828113 0.656227 0.750000 Bi\n0.343773 0.171887 0.750000 Bi\n0.828113 0.171887 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Bi"
],
"chemical_system": "Bi-Pa",
"density": 12.139484508125387,
"density_atomic": 0.034082814653759376,
"volume": 234.7223984072451,
"volume_molar": 17.66914153416537,
"formula_full": "Pa2 Bi6",
"formula_reduced": "PaBi3",
"formula_anonymous": "AB3",
"energy": -43.16449088,
"energy_per_atom": -5.39556136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.16449088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0220564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.924000Z",
"spacegroup": 194
},
{
"id": "mp-1210819",
"created_at": "2022-09-04T14:39:49.733160Z",
"structure_string": "Li2 Mg4 H14 Os2\n1.0\n2.358236 -4.084585 0.000000\n2.358236 4.084585 0.000000\n0.000000 0.000000 10.786266\nLi Mg H Os\n2 4 14 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333333 0.666667 0.075946 Mg\n0.666667 0.333333 0.924054 Mg\n0.666667 0.333333 0.575946 Mg\n0.333333 0.666667 0.424054 Mg\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n0.166661 0.333322 0.595250 H\n0.833339 0.666678 0.404750 H\n0.666678 0.833339 0.595250 H\n0.833339 0.666678 0.095250 H\n0.333322 0.166661 0.404750 H\n0.166661 0.333322 0.904750 H\n0.166661 0.833339 0.595250 H\n0.333322 0.166661 0.095250 H\n0.833339 0.166661 0.404750 H\n0.666678 0.833339 0.904750 H\n0.833339 0.166661 0.095250 H\n0.166661 0.833339 0.904750 H\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mg",
"H",
"Os"
],
"chemical_system": "H-Li-Mg-Os",
"density": 4.040942543633485,
"density_atomic": 0.10587327707947675,
"volume": 207.79558928250688,
"volume_molar": 5.688064945301836,
"formula_full": "Li2 Mg4 H14 Os2",
"formula_reduced": "LiMg2H7Os",
"formula_anonymous": "ABC2D7",
"energy": -90.1459275,
"energy_per_atom": -4.097542159090909,
"energy_above_hull": null,
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"energy_uncorrected": -87.6399275,
"band_gap": 3.3071,
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"is_magnetic": false,
"total_magnetization": 6.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.371000Z",
"spacegroup": 194
}
]
}