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{
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{
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{
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{
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{
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"structure_string": "Ba8 Sb16 Se32\n1.0\n21.303774 0.000000 0.000000\n0.000000 8.781316 0.000000\n0.000000 8.624587 9.297995\nBa Sb Se\n8 16 32\ndirect\n0.204633 0.156027 0.898357 Ba\n0.704633 0.843973 0.601643 Ba\n0.795367 0.843973 0.101643 Ba\n0.295367 0.156027 0.398357 Ba\n0.805485 0.344603 0.600494 Ba\n0.305485 0.655397 0.899506 Ba\n0.194515 0.655397 0.399506 Ba\n0.694515 0.344603 0.100494 Ba\n0.034011 0.895708 0.909452 Sb\n0.534010 0.104292 0.590548 Sb\n0.965989 0.104292 0.090548 Sb\n0.465989 0.895708 0.409452 Sb\n0.005320 0.486536 0.354791 Sb\n0.505320 0.513464 0.145209 Sb\n0.994680 0.513464 0.645209 Sb\n0.494680 0.486536 0.854791 Sb\n0.387853 0.870276 0.119891 Sb\n0.887853 0.129724 0.380109 Sb\n0.612147 0.129724 0.880109 Sb\n0.112147 0.870276 0.619891 Sb\n0.378532 0.337587 0.647323 Sb\n0.878532 0.662413 0.852677 Sb\n0.621468 0.662413 0.352677 Sb\n0.121468 0.337587 0.147323 Sb\n0.145790 0.304232 0.365946 Se\n0.645790 0.695768 0.134054 Se\n0.854210 0.695768 0.634054 Se\n0.354210 0.304232 0.865946 Se\n0.075142 0.893936 0.106961 Se\n0.575142 0.106064 0.393039 Se\n0.924858 0.106064 0.893039 Se\n0.424858 0.893936 0.606961 Se\n0.652988 0.267242 0.571756 Se\n0.152988 0.732758 0.928244 Se\n0.347012 0.732758 0.428244 Se\n0.847012 0.267242 0.071756 Se\n0.466687 0.519448 0.336845 Se\n0.966687 0.480552 0.163155 Se\n0.533313 0.480552 0.663155 Se\n0.033313 0.519448 0.836845 Se\n0.086641 0.268953 0.679876 Se\n0.586641 0.731047 0.820124 Se\n0.913359 0.731047 0.320124 Se\n0.413359 0.268953 0.179876 Se\n0.937774 0.139951 0.569554 Se\n0.437774 0.860049 0.930446 Se\n0.062226 0.860049 0.430446 Se\n0.562226 0.139951 0.069554 Se\n0.728202 0.815672 0.352623 Se\n0.228202 0.184328 0.147377 Se\n0.271798 0.184328 0.647377 Se\n0.771798 0.815672 0.852623 Se\n0.218319 0.695953 0.648610 Se\n0.718319 0.304047 0.851390 Se\n0.781681 0.304047 0.351390 Se\n0.281681 0.695953 0.148610 Se\n",
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{
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{
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{
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{
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{
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],
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{
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"elements": [
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],
"chemical_system": "O-Tc",
"density": 6.580346997899599,
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"volume": 131.21988009448353,
"volume_molar": 6.585204903660849,
"formula_full": "Tc4 O8",
"formula_reduced": "TcO2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:55.685000Z",
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}
]
}