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{
"id": "mp-10300",
"created_at": "2022-09-04T14:42:23.857480Z",
"structure_string": "Zr3 Mo3 P3\n1.0\n3.483947 -6.034373 0.000000\n3.483947 6.034373 0.000000\n0.000000 0.000000 3.456426\nZr Mo P\n3 3 3\ndirect\n0.404086 0.404086 0.500000 Zr\n0.595914 0.000000 0.500000 Zr\n0.000000 0.595914 0.500000 Zr\n0.000000 0.251333 0.000000 Mo\n0.251333 0.000000 0.000000 Mo\n0.748667 0.748667 0.000000 Mo\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.500000 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"P"
],
"chemical_system": "Mo-P-Zr",
"density": 7.4772216569336845,
"density_atomic": 0.06192721642665808,
"volume": 145.3318995963418,
"volume_molar": 9.724546180970638,
"formula_full": "Zr3 Mo3 P3",
"formula_reduced": "ZrMoP",
"formula_anonymous": "ABC",
"energy": -83.27030226,
"energy_per_atom": -9.252255806666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.27030226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0102759,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.826000Z",
"spacegroup": 189
}
]
}