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"structure_string": "Ba1 Ca1 Nd1 Mn1 O6\n1.0\n-0.000000 -4.205878 -4.205878\n4.205878 -0.000000 -4.205878\n4.205878 -4.205878 0.000000\nBa Ca Nd Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Nd\n0.000000 -0.000000 -0.000000 Mn\n0.772412 0.227588 0.227588 O\n0.227588 0.772412 0.772412 O\n0.772412 0.227588 0.772412 O\n0.227588 0.772412 0.227588 O\n0.772412 0.772412 0.227588 O\n0.227588 0.227588 0.772412 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Ca-Mn-Nd-O",
"density": 5.273825488824078,
"density_atomic": 0.06720475334859981,
"volume": 148.79899860845703,
"volume_molar": 8.960885145671723,
"formula_full": "Ba1 Ca1 Nd1 Mn1 O6",
"formula_reduced": "BaCaNdMnO6",
"formula_anonymous": "ABCDE6",
"energy": -74.1567741,
"energy_per_atom": -7.415677410000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.3667741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.093000Z",
"spacegroup": 216
},
{
"id": "mp-1520983",
"created_at": "2022-09-04T14:44:28.309960Z",
"structure_string": "K1 La1 Eu1 Sb1 O6\n1.0\n-0.000000 -4.318307 -4.318307\n4.318307 0.000000 -4.318307\n4.318307 -4.318307 -0.000000\nK La Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Sb\n0.731656 0.268344 0.268344 O\n0.268344 0.731656 0.731656 O\n0.731656 0.268344 0.731656 O\n0.268344 0.731656 0.268344 O\n0.731656 0.731656 0.268344 O\n0.268344 0.268344 0.731656 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"La",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-K-La-O-Sb",
"density": 5.647294872829409,
"density_atomic": 0.06209111540423296,
"volume": 161.05363762426896,
"volume_molar": 9.698876756833798,
"formula_full": "K1 La1 Eu1 Sb1 O6",
"formula_reduced": "KLaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -76.11434535,
"energy_per_atom": -7.611434534999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -71.99234535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9984568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.962000Z",
"spacegroup": 216
}
]
}