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{
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{
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{
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{
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"total_magnetization": 0.0002196,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.758000Z",
"spacegroup": 63
},
{
"id": "mp-1226102",
"created_at": "2022-09-04T14:45:22.404102Z",
"structure_string": "Cr4 B6 W6\n1.0\n5.776505 0.000000 0.000000\n0.000000 5.776505 0.000000\n2.888253 2.888253 5.287746\nCr B W\n4 6 6\ndirect\n0.305505 0.805505 0.713781 Cr\n0.980714 0.480714 0.713781 Cr\n0.480714 0.305505 0.713781 Cr\n0.805505 0.980714 0.713781 Cr\n0.389140 0.889140 0.989961 B\n0.620899 0.120899 0.989961 B\n0.120899 0.389140 0.989961 B\n0.889140 0.620899 0.989961 B\n0.739937 0.739937 0.520126 B\n0.239937 0.239937 0.520126 B\n0.679090 0.179090 0.299666 W\n0.021244 0.521244 0.299666 W\n0.521244 0.679090 0.299666 W\n0.179090 0.021244 0.299666 W\n0.513471 0.513471 0.973058 W\n0.013471 0.013471 0.973058 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"B",
"W"
],
"chemical_system": "B-Cr-W",
"density": 12.948875204526683,
"density_atomic": 0.09068158241939234,
"volume": 176.4415614849084,
"volume_molar": 6.640974494851956,
"formula_full": "Cr4 B6 W6",
"formula_reduced": "Cr2(BW)3",
"formula_anonymous": "A2B3C3",
"energy": -160.69873448,
"energy_per_atom": -10.043670905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.69873448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0101423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.235000Z",
"spacegroup": 108
}
]
}