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{
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{
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{
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"id": "mp-1220651",
"created_at": "2022-09-04T14:47:40.973026Z",
"structure_string": "Nd2 Mn17 C2\n1.0\n4.322430 2.483073 4.120912\n-4.322430 2.483073 4.120912\n0.000000 -4.970920 4.123906\nNd Mn C\n2 17 2\ndirect\n0.645356 0.645356 0.661555 Nd\n0.354644 0.354644 0.338445 Nd\n0.908489 0.908489 0.907458 Mn\n0.091511 0.091511 0.092542 Mn\n0.268248 0.731752 0.000000 Mn\n0.720443 0.996586 0.282183 Mn\n0.003414 0.279557 0.717817 Mn\n0.279557 0.003414 0.717817 Mn\n0.996586 0.720443 0.282183 Mn\n0.731752 0.268248 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.869315 0.333821 0.335827 Mn\n0.343754 0.343754 0.865349 Mn\n0.333821 0.869315 0.335827 Mn\n0.130685 0.666179 0.664173 Mn\n0.656246 0.656246 0.134651 Mn\n0.666179 0.130685 0.664173 Mn\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Nd",
"Mn",
"C"
],
"chemical_system": "C-Mn-Nd",
"density": 7.792545219613161,
"density_atomic": 0.07906311337308712,
"volume": 265.6105875935357,
"volume_molar": 7.616877837307531,
"formula_full": "Nd2 Mn17 C2",
"formula_reduced": "Nd2Mn17C2",
"formula_anonymous": "A2B2C17",
"energy": -184.25129837,
"energy_per_atom": -8.773871350952382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.25129837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2221053,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.704000Z",
"spacegroup": 12
}
]
}