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{
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"is_stable": null,
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"energy_uncorrected": -45.80107758,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.384000Z",
"spacegroup": 12
},
{
"id": "mp-755030",
"created_at": "2022-09-04T14:41:23.294111Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.203756 -0.000149 -0.003356\n2.445566 4.593296 0.003372\n-0.382472 0.636998 10.320833\nLi Mn B O\n2 4 4 12\ndirect\n0.837678 0.130404 0.425803 Li\n0.869597 0.162329 0.925802 Li\n0.159089 0.476773 0.375006 Mn\n0.500452 0.193539 0.132518 Mn\n0.523160 0.840927 0.875030 Mn\n0.806459 0.499554 0.632519 Mn\n0.170406 0.517486 0.875444 B\n0.480932 0.146400 0.620734 B\n0.482516 0.829597 0.375443 B\n0.853603 0.519071 0.120733 B\n0.087213 0.532298 0.188491 O\n0.216842 0.361959 0.560002 O\n0.163718 0.780207 0.884093 O\n0.428506 0.258107 0.906320 O\n0.506453 0.083306 0.341040 O\n0.219797 0.836282 0.384093 O\n0.734895 0.151532 0.608017 O\n0.467704 0.912791 0.688492 O\n0.848471 0.265108 0.108016 O\n0.741897 0.571496 0.406320 O\n0.638042 0.783160 0.060003 O\n0.916696 0.493549 0.841041 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.156305146796952,
"density_atomic": 0.08918651894515461,
"volume": 246.674051865719,
"volume_molar": 6.752299373522275,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -179.82007475999998,
"energy_per_atom": -8.173639761818182,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -164.90407476,
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"total_magnetization": 18.001827,
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"updated_at": "2021-11-28T01:35:29.832000Z",
"spacegroup": 9
},
{
"id": "mp-28029",
"created_at": "2022-09-04T14:41:23.293832Z",
"structure_string": "Tc4 P12\n1.0\n3.116889 0.000000 0.000000\n0.000000 5.172768 0.000000\n0.000000 0.000000 15.442661\nTc P\n4 12\ndirect\n0.250000 0.350500 0.650486 Tc\n0.750000 0.649500 0.349514 Tc\n0.750000 0.850500 0.849514 Tc\n0.250000 0.149500 0.150486 Tc\n0.250000 0.522328 0.792810 P\n0.750000 0.477672 0.207190 P\n0.750000 0.022328 0.707190 P\n0.250000 0.977672 0.292810 P\n0.250000 0.353077 0.012799 P\n0.750000 0.646923 0.987201 P\n0.750000 0.853077 0.487201 P\n0.250000 0.146923 0.512799 P\n0.250000 0.319686 0.381452 P\n0.750000 0.680314 0.618548 P\n0.750000 0.819686 0.118548 P\n0.250000 0.180314 0.881452 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tc",
"P"
],
"chemical_system": "P-Tc",
"density": 5.09327311765305,
"density_atomic": 0.0642618920013569,
"volume": 248.98115355305998,
"volume_molar": 9.371247208023133,
"formula_full": "Tc4 P12",
"formula_reduced": "TcP3",
"formula_anonymous": "AB3",
"energy": -113.51304312,
"energy_per_atom": -7.094565195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.51304312,
"band_gap": 0.4506000000000014,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0579271,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.808000Z",
"spacegroup": 62
}
]
}