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"Mg",
"Si",
"O"
],
"chemical_system": "Hf-Mg-O-Si",
"density": 4.338046326470633,
"density_atomic": 0.08700845143792695,
"volume": 183.89018233952393,
"volume_molar": 6.921328515191745,
"formula_full": "Hf1 Mg6 Si1 O8",
"formula_reduced": "HfMg6SiO8",
"formula_anonymous": "ABC6D8",
"energy": -106.00835751,
"energy_per_atom": -6.625522344375,
"energy_above_hull": null,
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"energy_uncorrected": -100.51235751,
"band_gap": 2.0116,
"is_gap_direct": true,
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"total_magnetization": 0.0169383,
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"updated_at": "2021-11-28T01:35:58.940000Z",
"spacegroup": 123
},
{
"id": "mp-1189942",
"created_at": "2022-09-04T14:42:59.146427Z",
"structure_string": "Li4 H4 Se2 O10\n1.0\n0.000000 -5.106908 0.000000\n-5.442458 0.000000 1.679802\n-0.055846 0.000000 -8.574411\nLi H Se O\n4 4 2 10\ndirect\n0.006340 0.688081 0.008446 Li\n0.506340 0.311919 0.991554 Li\n0.995567 0.449567 0.606372 Li\n0.495567 0.550433 0.393628 Li\n0.885348 0.053387 0.675401 H\n0.385348 0.946613 0.324599 H\n0.921448 0.005429 0.489130 H\n0.421448 0.994571 0.510870 H\n0.506198 0.716236 0.791700 Se\n0.006198 0.283764 0.208300 Se\n0.585141 0.008873 0.815697 O\n0.085141 0.991127 0.184303 O\n0.622888 0.549232 0.611560 O\n0.122888 0.450768 0.388440 O\n0.638512 0.614081 0.938444 O\n0.138512 0.385919 0.061556 O\n0.181376 0.675067 0.795065 O\n0.681376 0.324933 0.204935 O\n0.996942 0.097474 0.593998 O\n0.496942 0.902526 0.406002 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"Se",
"O"
],
"chemical_system": "H-Li-O-Se",
"density": 2.431796716704811,
"density_atomic": 0.08375300782433458,
"volume": 238.79739390313534,
"volume_molar": 7.1903575960292345,
"formula_full": "Li4 H4 Se2 O10",
"formula_reduced": "Li2H2SeO5",
"formula_anonymous": "AB2C2D5",
"energy": -110.93640536,
"energy_per_atom": -5.546820267999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -104.06640536,
"band_gap": 4.007,
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"is_magnetic": false,
"total_magnetization": 0.001092,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.708000Z",
"spacegroup": 4
}
]
}