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{
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"density": 12.980927886206501,
"density_atomic": 0.12817780136322032,
"volume": 23.40498875853575,
"volume_molar": 4.698271226337331,
"formula_full": "Ta1 H2",
"formula_reduced": "TaH2",
"formula_anonymous": "AB2",
"energy": -19.27514028,
"energy_per_atom": -6.42504676,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.91714028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:35.085000Z",
"spacegroup": 225
},
{
"id": "mp-865610",
"created_at": "2022-09-04T14:46:06.981964Z",
"structure_string": "Lu1 H3\n1.0\n-1.674081 1.674081 2.782202\n1.674081 -1.674081 2.782202\n1.674081 1.674081 -2.782202\nLu H\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Lu",
"H"
],
"chemical_system": "H-Lu",
"density": 9.476437806945185,
"density_atomic": 0.12825030503602655,
"volume": 31.18900963920801,
"volume_molar": 4.695615155307686,
"formula_full": "Lu1 H3",
"formula_reduced": "LuH3",
"formula_anonymous": "AB3",
"energy": -17.24763772,
"energy_per_atom": -4.31190943,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.71063772,
"band_gap": 0.0221999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.592000Z",
"spacegroup": 139
}
]
}