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{
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"structure_string": "H16 Pt2 O12\n1.0\n4.079290 3.656791 -0.195779\n-4.059681 3.638393 0.322729\n-0.002953 0.129052 7.416700\nH Pt O\n16 2 12\ndirect\n0.106211 0.604940 0.841292 H\n0.963643 0.947694 0.484273 H\n0.150683 0.154210 0.713549 H\n0.046295 0.031855 0.985507 H\n0.394788 0.758257 0.603187 H\n0.782503 0.366830 0.097685 H\n0.520443 0.455889 0.508169 H\n0.462911 0.517709 0.004742 H\n0.834665 0.842665 0.210236 H\n0.515250 0.144625 0.335577 H\n0.214512 0.572540 0.115120 H\n0.111703 0.253646 0.258360 H\n0.737360 0.885081 0.749727 H\n0.613367 0.188000 0.610514 H\n0.829221 0.471670 0.843353 H\n0.377256 0.867750 0.350025 H\n-0.001443 0.494480 0.506430 Pt\n0.499288 -0.004689 0.005930 Pt\n0.132429 0.170168 0.576713 O\n0.187201 0.142477 0.926965 O\n0.346946 0.656207 0.498122 O\n0.659201 0.345866 0.995830 O\n0.644116 0.323675 0.504101 O\n0.581904 0.961247 0.746705 O\n0.396512 0.030857 0.267041 O\n0.037101 0.410877 0.249311 O\n0.950963 0.591633 0.765715 O\n0.817906 0.855203 0.073556 O\n0.327823 0.639393 0.007730 O\n0.856470 0.812037 0.425528 O\n",
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{
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"created_at": "2022-09-04T14:35:54.924143Z",
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],
"chemical_system": "C-H-Hf-O",
"density": 4.3753154910573056,
"density_atomic": 0.13661556550980408,
"volume": 117.11696204084282,
"volume_molar": 4.408092692459578,
"formula_full": "Hf1 H6 C5 O4",
"formula_reduced": "HfH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.6859973125,
"spacegroup": 1
},
{
"id": "jvasp-113454",
"created_at": "2022-09-04T14:38:47.096009Z",
"updated_at": "2022-09-04T14:38:47.096035Z",
"structure_string": "B1 O1\n1.0\n2.557235 0.008432 0.296599\n-1.287380 -2.230937 -0.017924\n-0.994312 -2.380199 -2.541724\nB O\n1 1\ndirect\n0.893412 0.154552 0.782317 B\n0.226715 0.821052 0.782340 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 3.046168579791689,
"density_atomic": 0.13684582081978858,
"volume": 14.614987787122764,
"volume_molar": 4.40067568298671,
"formula_full": "B1 O1",
"formula_reduced": "BO",
"formula_anonymous": "AB",
"energy_above_hull": 1.9033330416666665,
"spacegroup": 187
}
]
}