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"density_atomic": 0.04386594334177596,
"volume": 205.17055634430648,
"volume_molar": 13.728510779032495,
"formula_full": "Zr6 Cu1 Bi2",
"formula_reduced": "Zr6CuBi2",
"formula_anonymous": "AB2C6",
"energy": -65.79077683,
"energy_per_atom": -7.310086314444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.79077683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003693,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.708000Z",
"spacegroup": 189
},
{
"id": "mp-1192960",
"created_at": "2022-09-04T14:42:52.471542Z",
"structure_string": "Zr6 Fe16 Si7\n1.0\n0.000000 5.720927 5.720927\n5.720927 0.000000 5.720927\n5.720927 5.720927 0.000000\nZr Fe Si\n6 16 7\ndirect\n0.707977 0.707977 0.292023 Zr\n0.292023 0.707977 0.292023 Zr\n0.707977 0.292023 0.292023 Zr\n0.292023 0.292023 0.707977 Zr\n0.707977 0.292023 0.707977 Zr\n0.292023 0.707977 0.707977 Zr\n0.877745 0.877745 0.366766 Fe\n0.877745 0.366766 0.877745 Fe\n0.366766 0.877745 0.877745 Fe\n0.877745 0.877745 0.877745 Fe\n0.122255 0.122255 0.633234 Fe\n0.122255 0.633234 0.122255 Fe\n0.633234 0.122255 0.122255 Fe\n0.122255 0.122255 0.122255 Fe\n0.676259 0.676259 0.971223 Fe\n0.676259 0.971223 0.676259 Fe\n0.971223 0.676259 0.676259 Fe\n0.676259 0.676259 0.676259 Fe\n0.323741 0.323741 0.028777 Fe\n0.323741 0.028777 0.323741 Fe\n0.028777 0.323741 0.323741 Fe\n0.323741 0.323741 0.323741 Fe\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Zr",
"density": 7.260913220674466,
"density_atomic": 0.07744061331533184,
"volume": 374.4805052345644,
"volume_molar": 7.776463153098152,
"formula_full": "Zr6 Fe16 Si7",
"formula_reduced": "Zr6Fe16Si7",
"formula_anonymous": "A6B7C16",
"energy": -240.03984946000003,
"energy_per_atom": -8.277236188275863,
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"is_stable": null,
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"energy_uncorrected": -240.53684946000004,
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"is_magnetic": true,
"total_magnetization": 5.6245875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.184000Z",
"spacegroup": 225
}
]
}