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"id": "mp-29657",
"created_at": "2022-09-04T14:48:07.614217Z",
"structure_string": "Na16 Ge16\n1.0\n6.676769 0.000000 0.000000\n0.000000 11.442207 0.000000\n0.000000 5.224881 10.712864\nNa Ge\n16 16\ndirect\n0.064432 0.767459 0.096876 Na\n0.564432 0.732541 0.903124 Na\n0.935568 0.232541 0.903124 Na\n0.435568 0.267459 0.096876 Na\n0.146443 0.239676 0.393334 Na\n0.646443 0.260324 0.606666 Na\n0.853557 0.760324 0.606666 Na\n0.353557 0.739676 0.393334 Na\n0.819348 0.596946 0.395960 Na\n0.319348 0.903054 0.604040 Na\n0.180652 0.403054 0.604040 Na\n0.680652 0.096946 0.395960 Na\n0.863333 0.451569 0.141025 Na\n0.363333 0.048431 0.858975 Na\n0.136667 0.548431 0.858975 Na\n0.636667 0.951569 0.141025 Na\n0.526220 0.654984 0.191550 Ge\n0.026220 0.845016 0.808450 Ge\n0.473780 0.345016 0.808450 Ge\n0.973780 0.154984 0.191550 Ge\n0.539831 0.399676 0.324434 Ge\n0.039831 0.100324 0.675566 Ge\n0.460169 0.600324 0.675566 Ge\n0.960169 0.899676 0.324434 Ge\n0.218576 0.525288 0.325751 Ge\n0.718576 0.974712 0.674249 Ge\n0.781424 0.474712 0.674249 Ge\n0.281424 0.025288 0.325751 Ge\n0.316206 0.507337 0.124390 Ge\n0.816206 0.992663 0.875610 Ge\n0.683794 0.492663 0.875610 Ge\n0.183794 0.007337 0.124390 Ge\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Na",
"Ge"
],
"chemical_system": "Ge-Na",
"density": 3.1044198041671316,
"density_atomic": 0.03909923277248083,
"volume": 818.4303816447909,
"volume_molar": 15.402196751642036,
"formula_full": "Na16 Ge16",
"formula_reduced": "NaGe",
"formula_anonymous": "AB",
"energy": -100.07864947,
"energy_per_atom": -3.1274577959375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.07864947,
"band_gap": 0.7666999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044172,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.437000Z",
"spacegroup": 14
}
]
}