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"volume": 638.5185599898656,
"volume_molar": 9.613121615328685,
"formula_full": "Ba4 Sr4 Tb4 Zr4 O24",
"formula_reduced": "BaSrTbZrO6",
"formula_anonymous": "ABCDE6",
"energy": -321.18428496,
"energy_per_atom": -8.029607124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.69628496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.509000Z",
"spacegroup": 16
},
{
"id": "mp-1518578",
"created_at": "2022-09-04T14:40:09.674328Z",
"structure_string": "Sr1 Ca1 Nd1 Sb1 O6\n1.0\n-0.000000 -4.271667 -4.271667\n4.271667 0.000000 -4.271667\n4.271667 -4.271667 -0.000000\nSr Ca Nd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Nd\n0.500000 0.500000 0.500000 Sb\n0.732785 0.267215 0.267215 O\n0.267215 0.732785 0.732785 O\n0.732785 0.267215 0.732785 O\n0.267215 0.732785 0.267215 O\n0.732785 0.732785 0.267215 O\n0.267215 0.267215 0.732785 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ca-Nd-O-Sb-Sr",
"density": 5.2161953067654165,
"density_atomic": 0.06414721933803938,
"volume": 155.891402670201,
"volume_molar": 9.387999701537904,
"formula_full": "Sr1 Ca1 Nd1 Sb1 O6",
"formula_reduced": "SrCaNdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.01687557,
"energy_per_atom": -7.101687557,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.89487557,
"band_gap": 3.0946,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.079000Z",
"spacegroup": 216
}
]
}