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{
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"density_atomic": 0.12825111906145772,
"volume": 70.17482627724453,
"volume_molar": 4.695585351667926,
"formula_full": "Cr3 N6",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -79.09815737,
"energy_per_atom": -8.788684152222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -76.93215737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:10.883000Z",
"spacegroup": 154
},
{
"id": "mp-989625",
"created_at": "2022-09-04T14:47:17.812843Z",
"structure_string": "Sr2 W2 N6\n1.0\n3.694370 0.000000 0.000000\n-0.104435 6.402268 0.000000\n-0.793930 -2.362095 6.245585\nSr W N\n2 2 6\ndirect\n0.033980 0.917170 0.360690 Sr\n0.963320 0.386690 0.892450 Sr\n0.522750 0.417130 0.365860 W\n0.443020 0.895330 0.871480 W\n0.036860 0.487430 0.313340 N\n0.617840 0.757300 0.573310 N\n0.482690 0.721080 0.032860 N\n0.916920 0.873290 0.736240 N\n0.541770 0.245160 0.528350 N\n0.489250 0.194540 0.055720 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"W",
"N"
],
"chemical_system": "N-Sr-W",
"density": 7.047607478008618,
"density_atomic": 0.06769438358043052,
"volume": 147.72274258349046,
"volume_molar": 8.896071492910256,
"formula_full": "Sr2 W2 N6",
"formula_reduced": "SrWN3",
"formula_anonymous": "ABC3",
"energy": -87.88762037,
"energy_per_atom": -8.788762037,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -85.72162037,
"band_gap": 0.7544,
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"is_magnetic": false,
"total_magnetization": 0.0003911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.895000Z",
"spacegroup": 1
}
]
}