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{
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"id": "mp-570763",
"created_at": "2022-09-04T14:48:11.996325Z",
"structure_string": "V4 Cl16\n1.0\n6.598608 0.000000 0.000000\n0.000000 12.864453 0.000000\n0.000000 6.417979 11.840955\nV Cl\n4 16\ndirect\n0.926838 0.138546 0.257331 V\n0.073162 0.861454 0.742669 V\n0.073162 0.638546 0.257331 V\n0.926838 0.361454 0.742669 V\n0.079990 0.337319 0.614591 Cl\n0.916935 0.510667 0.226236 Cl\n0.924928 0.303639 0.104040 Cl\n0.920010 0.662681 0.385409 Cl\n0.916935 0.989333 0.773764 Cl\n0.377017 0.579327 0.310688 Cl\n0.622983 0.420673 0.689312 Cl\n0.920010 0.837319 0.614591 Cl\n0.377017 0.920673 0.689312 Cl\n0.075072 0.696361 0.895960 Cl\n0.622983 0.079327 0.310688 Cl\n0.083065 0.010667 0.226236 Cl\n0.079990 0.162681 0.385409 Cl\n0.075072 0.803639 0.104040 Cl\n0.924928 0.196361 0.895960 Cl\n0.083065 0.489333 0.773764 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"V",
"Cl"
],
"chemical_system": "Cl-V",
"density": 1.273740555936419,
"density_atomic": 0.019897550296675753,
"volume": 1005.1488601258297,
"volume_molar": 30.26573960215649,
"formula_full": "V4 Cl16",
"formula_reduced": "VCl4",
"formula_anonymous": "AB4",
"energy": -98.59760251,
"energy_per_atom": -4.9298801255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.77360251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.675000Z",
"spacegroup": 13
},
{
"id": "mp-1186010",
"created_at": "2022-09-04T14:48:12.005401Z",
"structure_string": "Mn2 Au6\n1.0\n2.916486 -5.051502 0.000000\n2.916486 5.051502 0.000000\n0.000000 0.000000 4.753844\nMn Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Mn\n0.666667 0.333333 0.250000 Mn\n0.169360 0.338720 0.250000 Au\n0.661280 0.830640 0.250000 Au\n0.169360 0.830640 0.250000 Au\n0.830640 0.661280 0.750000 Au\n0.338720 0.169360 0.750000 Au\n0.830640 0.169360 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 15.3125378057587,
"density_atomic": 0.05711295619087172,
"volume": 140.07329568555284,
"volume_molar": 10.544263791693748,
"formula_full": "Mn2 Au6",
"formula_reduced": "MnAu3",
"formula_anonymous": "AB3",
"energy": -38.40922488,
"energy_per_atom": -4.80115311,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.40922488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.7292707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.318000Z",
"spacegroup": 194
}
]
}