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"id": "mp-569518",
"created_at": "2022-09-04T14:42:00.486300Z",
"structure_string": "U4 Zn34\n1.0\n4.496746 -7.788593 0.000000\n4.496746 7.788593 0.000000\n0.000000 0.000000 8.804587\nU Zn\n4 34\ndirect\n0.000000 0.000000 0.250000 U\n0.000000 0.000000 0.750000 U\n0.666667 0.333333 0.750000 U\n0.333333 0.666667 0.250000 U\n0.366803 0.329329 0.250000 Zn\n0.366803 0.037475 0.250000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.676820 0.838410 0.022504 Zn\n0.161590 0.323180 0.022504 Zn\n0.838410 0.161590 0.977496 Zn\n0.323180 0.161590 0.977496 Zn\n0.633197 0.962525 0.750000 Zn\n0.676820 0.838410 0.477496 Zn\n0.333333 0.666667 0.899822 Zn\n0.329329 0.366803 0.750000 Zn\n0.962525 0.633197 0.250000 Zn\n0.161590 0.323180 0.477496 Zn\n0.329329 0.962525 0.750000 Zn\n0.670671 0.633197 0.250000 Zn\n0.666667 0.333333 0.399822 Zn\n0.323180 0.161590 0.522504 Zn\n0.161590 0.838410 0.022504 Zn\n0.000000 0.500000 0.000000 Zn\n0.037475 0.670671 0.750000 Zn\n0.333333 0.666667 0.600178 Zn\n0.670671 0.037475 0.250000 Zn\n0.666667 0.333333 0.100178 Zn\n0.838410 0.676820 0.977496 Zn\n0.962525 0.329329 0.250000 Zn\n0.838410 0.161590 0.522504 Zn\n0.037475 0.366803 0.750000 Zn\n0.838410 0.676820 0.522504 Zn\n0.500000 0.500000 0.000000 Zn\n0.633197 0.670671 0.750000 Zn\n0.161590 0.838410 0.477496 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 8.551379857624964,
"density_atomic": 0.06161511236051984,
"volume": 616.7318137416669,
"volume_molar": 9.773804719795843,
"formula_full": "U4 Zn34",
"formula_reduced": "U2Zn17",
"formula_anonymous": "A2B17",
"energy": -90.36721285,
"energy_per_atom": -2.3780845486842104,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.36721285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.225623,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.650000Z",
"spacegroup": 194
}
]
}