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"structure_string": "Li2 Ti1 Te3 O12\n1.0\n0.000000 4.923848 0.027310\n8.466203 0.000000 0.000000\n0.000000 -0.096804 -5.180749\nLi Ti Te O\n2 1 3 12\ndirect\n0.000000 0.695738 0.500000 Li\n0.500001 0.823293 0.500000 Li\n0.000000 0.906490 0.000000 Ti\n0.500000 0.589217 -0.000000 Te\n0.000000 0.080332 0.500000 Te\n0.500001 0.388725 0.500000 Te\n0.797631 0.065954 0.806561 O\n0.287386 0.567476 0.670190 O\n0.205547 0.908958 0.675494 O\n0.248940 0.242631 0.647735 O\n0.751061 0.242631 0.352265 O\n0.202370 0.065954 0.193439 O\n0.712615 0.567476 0.329810 O\n0.709015 0.418655 0.820783 O\n0.290987 0.418655 0.179217 O\n0.259815 0.741037 0.143868 O\n0.794455 0.908958 0.324506 O\n0.740187 0.741037 0.856132 O\n",
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"structure_string": "Li1 Sb1 Te3 O12\n1.0\n0.000000 4.815987 -0.009497\n8.538039 0.000000 0.000000\n0.000000 -0.031960 -5.232938\nLi Sb Te O\n1 1 3 12\ndirect\n0.500000 0.793482 0.500000 Li\n0.000000 0.902577 0.000000 Sb\n0.500000 0.583777 0.000000 Te\n0.500000 0.397961 0.500000 Te\n-0.000000 0.086759 0.500000 Te\n0.783268 0.070171 0.806575 O\n0.246234 0.248293 0.645407 O\n0.222217 0.922140 0.676783 O\n0.289145 0.572892 0.677940 O\n0.710856 0.572892 0.322061 O\n0.753767 0.248293 0.354594 O\n0.738824 0.741913 0.851224 O\n0.216732 0.070171 0.193426 O\n0.261176 0.741913 0.148777 O\n0.284503 0.418673 0.183241 O\n0.777784 0.922140 0.323218 O\n0.715497 0.418673 0.816760 O\n",
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"structure_string": "Li1 Nb1 Te3 O12\n1.0\n0.000000 4.873911 -0.022190\n8.692999 0.000000 0.000000\n0.000000 -0.008370 -5.219902\nLi Nb Te O\n1 1 3 12\ndirect\n0.000000 0.726486 0.000000 Li\n0.000000 0.108326 0.000000 Nb\n0.500000 0.416946 0.000000 Te\n-0.000000 0.919463 0.500000 Te\n0.500000 0.605721 0.500000 Te\n0.800482 0.918403 0.186100 O\n0.288114 0.442522 0.316552 O\n0.216647 0.072163 0.318063 O\n0.243110 0.751457 0.352658 O\n0.756889 0.751457 0.647341 O\n0.711886 0.442522 0.683448 O\n0.719320 0.582438 0.180514 O\n0.199518 0.918403 0.813900 O\n0.280680 0.582438 0.819486 O\n0.258572 0.262637 0.875390 O\n0.783353 0.072163 0.681937 O\n0.741427 0.262637 0.124609 O\n",
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"structure_string": "Li4 Nb1 Te3 O12\n1.0\n0.000000 4.965077 0.054115\n9.004508 0.000000 0.000000\n0.000000 -0.098407 -5.310337\nLi Nb Te O\n4 1 3 12\ndirect\n0.000000 0.316850 0.000000 Li\n0.500000 0.156655 -0.000000 Li\n-0.000000 0.692263 0.500000 Li\n0.500000 0.813720 0.500000 Li\n0.000000 0.897778 0.000000 Nb\n0.500000 0.594157 -0.000000 Te\n-0.000000 0.086107 0.500000 Te\n0.500000 0.399686 0.500000 Te\n0.781492 0.058177 0.821504 O\n0.293443 0.579764 0.678472 O\n0.201479 0.900934 0.678925 O\n0.224434 0.234406 0.689470 O\n0.775566 0.234406 0.310530 O\n0.281562 0.436753 0.151825 O\n0.706557 0.579764 0.321527 O\n0.218508 0.058177 0.178496 O\n0.718438 0.436753 0.848175 O\n0.265390 0.740818 0.150253 O\n0.798521 0.900934 0.321074 O\n0.734610 0.740818 0.849747 O\n",
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"O"
],
"chemical_system": "O-Si",
"density": 2.73172863490787,
"density_atomic": 0.08213886670838925,
"volume": 146.09405365431442,
"volume_molar": 7.331657960877282,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5195852000000003,
"spacegroup": 3
}
]
}