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"density": 3.675158190900963,
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"volume_molar": 21.229653052633182,
"formula_full": "Sn2 Br2 Cl2",
"formula_reduced": "SnBrCl",
"formula_anonymous": "ABC",
"energy": -22.16402781,
"energy_per_atom": -3.694004635,
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"energy_uncorrected": -19.86802781,
"band_gap": 1.1451,
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"total_magnetization": 5.55e-05,
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"updated_at": "2021-11-28T01:38:16.106000Z",
"spacegroup": 129
},
{
"id": "mp-757445",
"created_at": "2022-09-04T14:47:37.005983Z",
"structure_string": "Li8 V8 P8 O40\n1.0\n6.310197 0.000000 0.000000\n0.000000 10.525682 0.000000\n0.000000 0.000000 12.621107\nLi V P O\n8 8 8 40\ndirect\n0.174223 0.100181 0.109401 Li\n0.845762 0.889677 0.118363 Li\n0.345762 0.389677 0.381637 Li\n0.674223 0.600181 0.390599 Li\n0.325777 0.100181 0.609401 Li\n0.654238 0.889677 0.618363 Li\n0.154238 0.389677 0.881637 Li\n0.825777 0.600181 0.890599 Li\n0.963238 0.504288 0.130626 V\n0.740440 0.228803 0.227833 V\n0.240440 0.728803 0.272167 V\n0.463238 0.004288 0.369374 V\n0.536762 0.504288 0.630626 V\n0.759560 0.228803 0.727833 V\n0.259560 0.728803 0.772167 V\n0.036762 0.004288 0.869374 V\n0.170155 0.747318 0.017803 P\n0.462395 0.477619 0.183100 P\n0.962395 0.977619 0.316900 P\n0.670155 0.247318 0.482197 P\n0.329845 0.747318 0.517803 P\n0.037605 0.477619 0.683100 P\n0.537605 0.977619 0.816900 P\n0.829845 0.247318 0.982197 P\n0.067878 0.882964 0.009228 O\n0.978475 0.650469 0.020876 O\n0.678229 0.214968 0.074422 O\n0.270469 0.469433 0.109171 O\n0.654160 0.518926 0.117461 O\n0.299881 0.737925 0.119708 O\n0.929784 0.344521 0.203635 O\n0.928245 0.071379 0.219146 O\n0.494172 0.349543 0.243836 O\n0.001695 0.597476 0.241619 O\n0.501695 0.097476 0.258381 O\n0.994172 0.849543 0.256164 O\n0.428245 0.571379 0.280854 O\n0.429784 0.844521 0.296365 O\n0.799881 0.237925 0.380292 O\n0.154160 0.018926 0.382539 O\n0.770469 0.969433 0.390829 O\n0.178229 0.714968 0.425578 O\n0.478475 0.150469 0.479124 O\n0.567878 0.382964 0.490772 O\n0.432122 0.882964 0.509228 O\n0.521525 0.650469 0.520876 O\n0.821771 0.214968 0.574422 O\n0.229531 0.469433 0.609171 O\n0.845840 0.518926 0.617461 O\n0.200119 0.737925 0.619708 O\n0.570216 0.344521 0.703635 O\n0.571755 0.071379 0.719146 O\n0.005828 0.349543 0.743836 O\n0.498305 0.597476 0.741619 O\n0.998305 0.097476 0.758381 O\n0.505828 0.849543 0.756164 O\n0.071755 0.571379 0.780854 O\n0.070216 0.844521 0.796365 O\n0.700119 0.237925 0.880292 O\n0.345840 0.018926 0.882539 O\n0.729531 0.969433 0.890829 O\n0.321771 0.714968 0.925578 O\n0.021525 0.150469 0.979124 O\n0.932122 0.382964 0.990772 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.6758263612104765,
"density_atomic": 0.07634654047534747,
"volume": 838.2829084530135,
"volume_molar": 7.887902611572252,
"formula_full": "Li8 V8 P8 O40",
"formula_reduced": "LiVPO5",
"formula_anonymous": "ABCD5",
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"energy_uncorrected": -447.81682449,
"band_gap": 1.1021999999999998,
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"is_magnetic": true,
"total_magnetization": 0.3822764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.592000Z",
"spacegroup": 33
}
]
}