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{
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"structure_string": "Sr1 Nd1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.033172 -4.033172\n4.033172 0.000000 -4.033172\n4.033172 -4.033172 -0.000000\nSr Nd Hf Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Hf\n-0.000000 0.000000 0.000000 Fe\n0.753021 0.246979 0.246979 O\n0.246979 0.753021 0.753021 O\n0.753021 0.246979 0.753021 O\n0.246979 0.753021 0.246979 O\n0.753021 0.753021 0.246979 O\n0.246979 0.246979 0.753021 O\n",
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{
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{
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{
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"structure_string": "Ca1 Nd1 Hf1 Ti1 O6\n1.0\n0.000000 -4.012858 -4.012858\n4.012858 -0.000000 -4.012858\n4.012858 -4.012858 0.000000\nCa Nd Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.745323 0.254677 0.254677 O\n0.254677 0.745323 0.745323 O\n0.745323 0.254677 0.745323 O\n0.254677 0.745323 0.254677 O\n0.745323 0.745323 0.254677 O\n0.254677 0.254677 0.745323 O\n",
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{
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{
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{
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"energy": -256.69467972,
"energy_per_atom": -6.417366993,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.20667972,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.0000216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.820000Z",
"spacegroup": 48
},
{
"id": "mp-1521024",
"created_at": "2022-09-04T14:40:04.884662Z",
"structure_string": "Ba1 Ca1 Eu1 W1 O6\n1.0\n-0.000000 -4.221198 -4.221198\n4.221198 0.000000 -4.221198\n4.221198 -4.221198 -0.000000\nBa Ca Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.731369 0.268631 0.268631 O\n0.268631 0.731369 0.731369 O\n0.731369 0.268631 0.731369 O\n0.268631 0.731369 0.268631 O\n0.731369 0.731369 0.268631 O\n0.268631 0.268631 0.731369 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-W",
"density": 6.7247427436668055,
"density_atomic": 0.06647568683919268,
"volume": 150.43093912200405,
"volume_molar": 9.059162900516991,
"formula_full": "Ba1 Ca1 Eu1 W1 O6",
"formula_reduced": "BaCaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -86.52273082,
"energy_per_atom": -8.652273082,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.96273082,
"band_gap": 0.5857999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.697000Z",
"spacegroup": 216
}
]
}