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{
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{
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"structure_string": "Ba4 Ce4 Eu4 Sb4 O24\n1.0\n8.666932 0.000000 0.000000\n0.000000 8.620837 0.000000\n0.000000 0.000000 8.657066\nBa Ce 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\n0.500000 0.000000 -0.000000 Ba\n0.754775 0.747183 0.748470 Ce\n0.245225 0.252817 0.748470 Ce\n0.245225 0.747183 0.251530 Ce\n0.754775 0.252817 0.251530 Ce\n0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n-0.000000 0.500000 0.000000 Eu\n-0.000000 0.000000 0.500000 Eu\n0.247118 0.251164 0.251335 Sb\n0.752882 0.748836 0.251335 Sb\n0.752882 0.251164 0.748665 Sb\n0.247118 0.748836 0.748665 Sb\n0.013951 0.207212 0.288942 O\n0.986049 0.792788 0.288942 O\n0.986049 0.207212 0.711058 O\n0.013951 0.792788 0.711058 O\n0.278813 0.014586 0.214515 O\n0.278813 0.985414 0.785485 O\n0.721187 0.985414 0.214515 O\n0.721187 0.014586 0.785485 O\n0.206535 0.289579 0.013180 O\n0.793465 0.289579 0.986820 O\n0.206535 0.710421 0.986820 O\n0.793465 0.710421 0.013180 O\n0.485214 0.294386 0.213070 O\n0.514786 0.705614 0.213070 O\n0.514786 0.294386 0.786930 O\n0.485214 0.705614 0.786930 O\n0.209571 0.486035 0.293461 O\n0.209571 0.513965 0.706539 O\n0.790429 0.513965 0.293461 O\n0.790429 0.486035 0.706539 O\n0.284240 0.220116 0.486744 O\n0.715760 0.220116 0.513256 O\n0.284240 0.779884 0.513256 O\n0.715760 0.779884 0.486744 O\n",
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"elements": [
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],
"chemical_system": "Ba-Ce-Eu-O-Sb",
"density": 6.645650313366817,
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"volume": 646.8231444631932,
"volume_molar": 9.738150056957911,
"formula_full": "Ba4 Ce4 Eu4 Sb4 O24",
"formula_reduced": "BaCeEuSbO6",
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -305.60285738,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 26.089363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.009000Z",
"spacegroup": 16
},
{
"id": "mp-1518487",
"created_at": "2022-09-04T14:41:48.799101Z",
"structure_string": "K1 Pr1 Hf1 Zr1 O6\n1.0\n0.000000 -4.152789 -4.152789\n4.152789 0.000000 -4.152789\n4.152789 -4.152789 0.000000\nK Pr Hf Zr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751898 0.248102 0.248102 O\n0.248102 0.751898 0.751898 O\n0.751898 0.248102 0.751898 O\n0.248102 0.751898 0.248102 O\n0.751898 0.751898 0.248102 O\n0.248102 0.248102 0.751898 O\n",
"nsites": 10,
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"elements": [
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"O"
],
"chemical_system": "Hf-K-O-Pr-Zr",
"density": 6.326543099333372,
"density_atomic": 0.06981526773306049,
"volume": 143.23514504356152,
"volume_molar": 8.625822052313437,
"formula_full": "K1 Pr1 Hf1 Zr1 O6",
"formula_reduced": "KPrHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -88.77204678,
"energy_per_atom": -8.877204678,
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"formation_energy": null,
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"band_gap": 2.6627,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.207000Z",
"spacegroup": 216
}
]
}