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"density_atomic": 0.0996334176751973,
"volume": 582.1340003519572,
"volume_molar": 6.044298088450649,
"formula_full": "Zr2 Cd4 H24 O12 F16",
"formula_reduced": "ZrCd2H12(O3F4)2",
"formula_anonymous": "AB2C6D8E12",
"energy": -308.70650526000003,
"energy_per_atom": -5.322525952758621,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -293.07050526,
"band_gap": 4.654,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.843000Z",
"spacegroup": 15
},
{
"id": "mp-11313",
"created_at": "2022-09-04T14:39:36.095547Z",
"structure_string": "Zr1 Cd3\n1.0\n4.432078 0.000000 0.000000\n0.000000 4.432078 0.000000\n0.000000 0.000000 4.432078\nZr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Cd"
],
"chemical_system": "Cd-Zr",
"density": 8.172109087548849,
"density_atomic": 0.04594495246739019,
"volume": 87.06070602290933,
"volume_molar": 13.107295658373495,
"formula_full": "Zr1 Cd3",
"formula_reduced": "ZrCd3",
"formula_anonymous": "AB3",
"energy": -11.73108738,
"energy_per_atom": -2.932771845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.73108738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.443000Z",
"spacegroup": 221
}
]
}