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],
"chemical_system": "Bi-Br-Cu-Rb",
"density": 4.4951266137131745,
"density_atomic": 0.029332209190688553,
"volume": 340.9221560841206,
"volume_molar": 20.530812121412648,
"formula_full": "Rb2 Cu1 Bi1 Br6",
"formula_reduced": "Rb2CuBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.528919179999995,
"energy_per_atom": -3.3528919179999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.32491918,
"band_gap": 0.8460000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.656000Z",
"spacegroup": 225
},
{
"id": "mp-1201085",
"created_at": "2022-09-04T14:43:52.466203Z",
"structure_string": "Al4 P6 O26\n1.0\n10.619563 0.000000 0.000000\n0.000000 7.488397 0.000000\n0.000000 2.472888 7.424228\nAl P O\n4 6 26\ndirect\n0.395636 0.038873 0.589228 Al\n0.895636 0.961127 0.410772 Al\n0.629773 0.405653 0.014489 Al\n0.129773 0.594347 0.985511 Al\n0.604296 0.091897 0.413076 P\n0.104296 0.908103 0.586924 P\n0.419408 0.335530 0.770480 P\n0.919408 0.664470 0.229520 P\n0.396071 0.650205 0.915683 P\n0.896071 0.349795 0.084317 P\n0.350393 0.163430 0.765239 O\n0.850393 0.836570 0.234761 O\n0.784983 0.310223 0.978621 O\n0.284983 0.689777 0.021379 O\n0.545455 0.309723 0.862630 O\n0.045455 0.690277 0.137370 O\n0.838212 0.524135 0.158510 O\n0.338212 0.475865 0.841490 O\n0.479444 0.989921 0.392838 O\n0.979444 0.010079 0.607162 O\n0.428717 0.808886 0.748681 O\n0.928717 0.191114 0.251319 O\n0.227018 0.024408 0.545102 O\n0.727018 0.975592 0.454898 O\n0.506992 0.568105 0.035743 O\n0.006992 0.431895 0.964257 O\n0.625664 0.264476 0.245057 O\n0.125664 0.735524 0.754943 O\n0.564622 0.148832 0.581667 O\n0.064622 0.851168 0.418333 O\n0.396699 0.383848 0.435256 O\n0.896699 0.616152 0.564744 O\n0.709211 0.617731 0.850931 O\n0.209211 0.382269 0.149069 O\n0.431505 0.476778 0.548334 O\n0.931505 0.523222 0.451666 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 1.9962255260306057,
"density_atomic": 0.060975545423418764,
"volume": 590.4006229056796,
"volume_molar": 9.87632126647134,
"formula_full": "Al4 P6 O26",
"formula_reduced": "Al2P3O13",
"formula_anonymous": "A2B3C13",
"energy": -246.68964552,
"energy_per_atom": -6.852490153333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -242.50364552,
"band_gap": 0.0159,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0013431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.307000Z",
"spacegroup": 4
}
]
}