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{
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{
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"structure_string": "Ba1 Ce1 Eu1 W1 O6\n1.0\n-0.000000 -4.291059 -4.291059\n4.291059 -0.000000 -4.291059\n4.291059 -4.291059 -0.000000\nBa Ce Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n-0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.738066 0.261934 0.261934 O\n0.261934 0.738066 0.738066 O\n0.738066 0.261934 0.738066 O\n0.261934 0.738066 0.261934 O\n0.738066 0.738066 0.261934 O\n0.261934 0.261934 0.738066 O\n",
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{
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{
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{
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"structure_string": "K1 Ca1 Ce1 Bi1 O6\n1.0\n-0.000000 -4.318686 -4.318686\n4.318686 -0.000000 -4.318686\n4.318686 -4.318686 -0.000000\nK Ca Ce Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ce\n-0.000000 0.000000 0.000000 Bi\n0.754833 0.245167 0.245167 O\n0.245167 0.754833 0.754833 O\n0.754833 0.245167 0.754833 O\n0.245167 0.754833 0.245167 O\n0.754833 0.754833 0.245167 O\n0.245167 0.245167 0.754833 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Ca",
"Ce",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Ce-K-O",
"density": 5.404039028174607,
"density_atomic": 0.06207476982993574,
"volume": 161.09604638723076,
"volume_molar": 9.701430672233933,
"formula_full": "K1 Ca1 Ce1 Bi1 O6",
"formula_reduced": "KCaCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.59489927,
"energy_per_atom": -6.759489927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.47289927,
"band_gap": 1.7974,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.573000Z",
"spacegroup": 216
},
{
"id": "mp-1516717",
"created_at": "2022-09-04T14:42:27.815523Z",
"structure_string": "Eu1 Mg1 Sn1 W1 O6\n1.0\n-0.000000 -4.011791 -4.011791\n4.011791 -0.000000 -4.011791\n4.011791 -4.011791 0.000000\nEu Mg Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.743186 0.256814 0.256814 O\n0.256814 0.743186 0.743186 O\n0.743186 0.256814 0.743186 O\n0.256814 0.743186 0.256814 O\n0.743186 0.743186 0.256814 O\n0.256814 0.256814 0.743186 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Sn",
"W",
"O"
],
"chemical_system": "Eu-Mg-O-Sn-W",
"density": 7.391500276077924,
"density_atomic": 0.07743817424777197,
"volume": 129.13527594289476,
"volume_molar": 7.776708088095541,
"formula_full": "Eu1 Mg1 Sn1 W1 O6",
"formula_reduced": "EuMgSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.37174927999999,
"energy_per_atom": -8.337174928,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -74.81174928,
"band_gap": 0.2325999999999997,
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"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.728000Z",
"spacegroup": 216
}
]
}