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{
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"updated_at": "2021-11-28T01:34:48.762000Z",
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},
{
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"created_at": "2022-09-04T14:41:48.295370Z",
"structure_string": "Ba1 Ge12 Pt4\n1.0\n-4.413891 4.413891 4.413891\n4.413891 -4.413891 4.413891\n4.413891 4.413891 -4.413891\nBa Ge Pt\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.847192 0.643286 0.490477 Ge\n0.356714 0.509523 0.152808 Ge\n0.203906 0.847192 0.356714 Ge\n0.152808 0.643286 0.796094 Ge\n0.643286 0.796094 0.152808 Ge\n0.490477 0.847192 0.643286 Ge\n0.152808 0.356714 0.509523 Ge\n0.509523 0.152808 0.356714 Ge\n0.847192 0.356714 0.203906 Ge\n0.643286 0.490477 0.847192 Ge\n0.356714 0.203906 0.847192 Ge\n0.796094 0.152808 0.643286 Ge\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 17,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ba-Ge-Pt",
"density": 8.63809333529259,
"density_atomic": 0.04942243257324925,
"volume": 343.97335612333956,
"volume_molar": 12.185035107437404,
"formula_full": "Ba1 Ge12 Pt4",
"formula_reduced": "Ba(Ge3Pt)4",
"formula_anonymous": "AB4C12",
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"energy_uncorrected": -87.95775196,
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"updated_at": "2021-11-28T01:35:27.301000Z",
"spacegroup": 204
},
{
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"formula_full": "Ba1 Ge3 Pt1",
"formula_reduced": "BaGe3Pt",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:37:14.513000Z",
"spacegroup": 107
},
{
"id": "mp-1068447",
"created_at": "2022-09-04T14:46:42.379052Z",
"structure_string": "Ba1 Ge3 Pd1\n1.0\n-2.301476 2.301476 5.318319\n2.301476 -2.301476 5.318319\n2.301476 2.301476 -5.318319\nBa Ge Pd\n1 3 1\ndirect\n0.603797 0.603797 0.000000 Ba\n0.356175 0.856175 0.500000 Ge\n0.856175 0.356175 0.500000 Ge\n0.002283 0.002283 0.000000 Ge\n0.249900 0.249900 0.000000 Pd\n",
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"elements": [
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],
"chemical_system": "Ba-Ge-Pd",
"density": 6.803472822230411,
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"volume": 112.68011342017813,
"volume_molar": 13.571510077381554,
"formula_full": "Ba1 Ge3 Pd1",
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"energy_uncorrected": -23.8012597,
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"updated_at": "2021-11-28T01:37:44.130000Z",
"spacegroup": 107
}
]
}