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{
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"structure_string": "Sr1 Tb1 Eu1 W1 O6\n1.0\n-0.000000 -4.210628 -4.210628\n4.210628 0.000000 -4.210628\n4.210628 -4.210628 -0.000000\nSr Tb Eu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 -0.000000 Tb\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 W\n0.736426 0.263574 0.263574 O\n0.263574 0.736426 0.736426 O\n0.736426 0.263574 0.736426 O\n0.263574 0.736426 0.263574 O\n0.736426 0.736426 0.263574 O\n0.263574 0.263574 0.736426 O\n",
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"structure_string": "K1 La1 Pr1 Sb1 O6\n1.0\n0.000000 -4.291730 -4.291730\n4.291730 -0.000000 -4.291730\n4.291730 -4.291730 0.000000\nK La Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n-0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.731776 0.268224 0.268224 O\n0.268224 0.731776 0.731776 O\n0.731776 0.268224 0.731776 O\n0.268224 0.731776 0.268224 O\n0.731776 0.731776 0.268224 O\n0.268224 0.268224 0.731776 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Pr",
"Sb",
"O"
],
"chemical_system": "K-La-O-Pr-Sb",
"density": 5.636733219063761,
"density_atomic": 0.06325179117969217,
"volume": 158.09828960560145,
"volume_molar": 9.520901539201768,
"formula_full": "K1 La1 Pr1 Sb1 O6",
"formula_reduced": "KLaPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.13514637,
"energy_per_atom": -7.213514637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.01314637,
"band_gap": 2.0094,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.994000Z",
"spacegroup": 216
},
{
"id": "mp-1523132",
"created_at": "2022-09-04T14:44:58.692743Z",
"structure_string": "Ba1 Y1 Sn1 Sb1 O6\n1.0\n-0.000000 -4.230557 -4.230557\n4.230557 -0.000000 -4.230557\n4.230557 -4.230557 -0.000000\nBa Y Sn Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Sn\n-0.000000 0.000000 -0.000000 Sb\n0.763359 0.236641 0.236641 O\n0.236641 0.763359 0.763359 O\n0.763359 0.236641 0.763359 O\n0.236641 0.763359 0.236641 O\n0.763359 0.763359 0.236641 O\n0.236641 0.236641 0.763359 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Sn",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Sn-Y",
"density": 6.1702503530790205,
"density_atomic": 0.0660354819444359,
"volume": 151.43373994626526,
"volume_molar": 9.119552977696442,
"formula_full": "Ba1 Y1 Sn1 Sb1 O6",
"formula_reduced": "BaYSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.24181702,
"energy_per_atom": -7.224181702,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.11981702,
"band_gap": 2.6432,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.096000Z",
"spacegroup": 216
}
]
}