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{
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{
"id": "mp-1207888",
"created_at": "2022-09-04T14:47:13.220595Z",
"structure_string": "Y6 Ni22 Ge8\n1.0\n-4.160782 -7.206686 0.000000\n-4.160782 7.206686 0.000000\n0.000000 0.000000 -8.560569\nY Ni Ge\n6 22 8\ndirect\n0.804470 0.195530 0.750000 Y\n0.195530 0.804470 0.250000 Y\n0.391061 0.195530 0.750000 Y\n0.608939 0.804470 0.250000 Y\n0.804470 0.608939 0.750000 Y\n0.195530 0.391061 0.250000 Y\n0.841670 0.158330 0.404373 Ni\n0.158330 0.841670 0.595627 Ni\n0.316660 0.158330 0.404373 Ni\n0.158330 0.841670 0.904373 Ni\n0.683340 0.841670 0.595627 Ni\n0.841670 0.158330 0.095627 Ni\n0.841670 0.683340 0.404373 Ni\n0.683340 0.841670 0.904373 Ni\n0.158330 0.316660 0.595627 Ni\n0.316660 0.158330 0.095627 Ni\n0.158330 0.316660 0.904373 Ni\n0.841670 0.683340 0.095627 Ni\n0.433999 0.566001 0.750000 Ni\n0.566001 0.433999 0.250000 Ni\n0.132001 0.566001 0.750000 Ni\n0.867999 0.433999 0.250000 Ni\n0.433999 0.867999 0.750000 Ni\n0.566001 0.132001 0.250000 Ni\n0.666667 0.333333 0.005884 Ni\n0.333333 0.666667 0.994116 Ni\n0.333333 0.666667 0.505884 Ni\n0.666667 0.333333 0.494116 Ni\n0.500000 0.500000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.000000 0.000000 0.750000 Ge\n0.000000 0.000000 0.250000 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Y",
"density": 7.781569764789687,
"density_atomic": 0.07012280999619495,
"volume": 513.3850169717023,
"volume_molar": 8.587991211884946,
"formula_full": "Y6 Ni22 Ge8",
"formula_reduced": "Y3Ni11Ge4",
"formula_anonymous": "A3B4C11",
"energy": -218.64737633,
"energy_per_atom": -6.073538231388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.64737633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4848639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.184000Z",
"spacegroup": 194
}
]
}