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{
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{
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"id": "mp-1195573",
"created_at": "2022-09-04T14:46:07.549504Z",
"structure_string": "Tb6 Al24 Ru8\n1.0\n4.422487 -7.659972 0.000000\n4.422487 7.659972 0.000000\n0.000000 0.000000 9.600766\nTb Al Ru\n6 24 8\ndirect\n0.386874 0.193437 0.250000 Tb\n0.806563 0.193437 0.250000 Tb\n0.806563 0.613126 0.250000 Tb\n0.613126 0.806563 0.750000 Tb\n0.193437 0.806563 0.750000 Tb\n0.193437 0.386874 0.750000 Tb\n0.438891 0.877782 0.250000 Al\n0.122218 0.561109 0.250000 Al\n0.438891 0.561109 0.250000 Al\n0.561109 0.122218 0.750000 Al\n0.877782 0.438891 0.750000 Al\n0.561109 0.438891 0.750000 Al\n0.161858 0.838142 0.421318 Al\n0.161858 0.323717 0.421318 Al\n0.676283 0.838142 0.421318 Al\n0.838142 0.161858 0.578682 Al\n0.838142 0.676283 0.578682 Al\n0.323717 0.161858 0.578682 Al\n0.838142 0.161858 0.921318 Al\n0.838142 0.676283 0.921318 Al\n0.323717 0.161858 0.921318 Al\n0.161858 0.838142 0.078682 Al\n0.161858 0.323717 0.078682 Al\n0.676283 0.838142 0.078682 Al\n0.333333 0.666667 0.513296 Al\n0.666667 0.333333 0.486704 Al\n0.666667 0.333333 0.013296 Al\n0.333333 0.666667 0.986704 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Tb",
"density": 6.1514410333273375,
"density_atomic": 0.05841897989666924,
"volume": 650.4735287609253,
"volume_molar": 10.308534607505793,
"formula_full": "Tb6 Al24 Ru8",
"formula_reduced": "Tb3(Al3Ru)4",
"formula_anonymous": "A3B4C12",
"energy": -217.16994201,
"energy_per_atom": -5.714998473947368,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.16994201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.07896,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.016000Z",
"spacegroup": 194
}
]
}