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{
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{
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"structure_string": "Ba4 Tb4 Eu4 Sb4 O24\n1.0\n8.473848 0.000000 0.000000\n0.000000 8.444800 0.000000\n0.000000 0.000000 8.441076\nBa Tb Eu Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n0.500000 -0.000000 -0.000000 Eu\n-0.000000 -0.000000 0.500000 Eu\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.750000 Sb\n0.250000 0.750000 0.250000 Sb\n0.750000 0.250000 0.250000 Sb\n0.985391 0.216669 0.279010 O\n0.014609 0.783331 0.279010 O\n0.014609 0.216669 0.720990 O\n0.985391 0.783331 0.720990 O\n0.281449 0.985430 0.217747 O\n0.281449 0.014570 0.782253 O\n0.718551 0.014570 0.217747 O\n0.718551 0.985430 0.782253 O\n0.225559 0.275019 0.986029 O\n0.774441 0.275019 0.013971 O\n0.225559 0.724981 0.013971 O\n0.774441 0.724981 0.986029 O\n0.514609 0.283331 0.220991 O\n0.485391 0.716669 0.220991 O\n0.485391 0.283331 0.779010 O\n0.514609 0.716669 0.779010 O\n0.218551 0.514570 0.282253 O\n0.218551 0.485430 0.717747 O\n0.781449 0.485430 0.282253 O\n0.781449 0.514570 0.717747 O\n0.274441 0.224981 0.513971 O\n0.725559 0.224981 0.486029 O\n0.274441 0.775019 0.486029 O\n0.725559 0.775019 0.513971 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Tb",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-O-Sb-Tb",
"density": 7.323146114435105,
"density_atomic": 0.066220452296908,
"volume": 604.0429899308873,
"volume_molar": 9.094079776137665,
"formula_full": "Ba4 Tb4 Eu4 Sb4 O24",
"formula_reduced": "BaTbEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -324.39312881,
"energy_per_atom": -8.10982822025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.90512881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.999591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.862000Z",
"spacegroup": 48
},
{
"id": "mp-1518717",
"created_at": "2022-09-04T14:46:37.259228Z",
"structure_string": "Ca1 Eu1 Zr1 Ti1 O6\n1.0\n0.000000 -4.024785 -4.024785\n4.024785 0.000000 -4.024785\n4.024785 -4.024785 -0.000000\nCa Eu Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Ti\n0.757754 0.242246 0.242246 O\n0.242246 0.757754 0.757754 O\n0.757754 0.242246 0.757754 O\n0.242246 0.757754 0.242246 O\n0.757754 0.757754 0.242246 O\n0.242246 0.242246 0.757754 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zr",
"Ti",
"O"
],
"chemical_system": "Ca-Eu-O-Ti-Zr",
"density": 5.439393903919052,
"density_atomic": 0.07669056672241831,
"volume": 130.39413356006384,
"volume_molar": 7.852518265769444,
"formula_full": "Ca1 Eu1 Zr1 Ti1 O6",
"formula_reduced": "CaEuZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -93.50248188,
"energy_per_atom": -9.350248188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.38048187999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0027481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.981000Z",
"spacegroup": 216
}
]
}