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{
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"structure_string": "Li2 Si2 Bi6 O14\n1.0\n4.250271 -7.361684 -0.000000\n4.250270 7.361684 -0.000000\n0.000000 0.000000 5.215674\nLi Si Bi O\n2 2 6 14\ndirect\n0.000000 0.000000 0.015102 Li\n0.000000 0.000000 0.515102 Li\n0.333333 0.666667 0.172780 Si\n0.666667 0.333333 0.672779 Si\n0.261637 0.357552 0.704139 Bi\n0.642448 0.904084 0.704139 Bi\n0.095916 0.738363 0.704139 Bi\n0.904084 0.261637 0.204139 Bi\n0.357552 0.095915 0.204139 Bi\n0.738363 0.642447 0.204139 Bi\n0.872009 0.468529 0.550809 O\n0.666667 0.333333 0.988014 O\n0.227032 0.082559 0.825685 O\n0.596519 0.127991 0.550809 O\n0.082560 0.855527 0.325686 O\n0.917440 0.144473 0.825685 O\n0.468529 0.596519 0.050809 O\n0.772967 0.917440 0.325686 O\n0.333333 0.666667 0.488014 O\n0.127991 0.531471 0.050809 O\n0.531471 0.403481 0.550809 O\n0.144473 0.227032 0.325686 O\n0.403481 0.872009 0.050809 O\n0.855527 0.772967 0.825685 O\n",
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"structure_string": "Li4 Si4 Bi4 O16\n1.0\n5.178085 0.000000 0.000000\n0.000000 7.930359 0.000000\n0.000000 0.000000 8.400228\nLi Si Bi O\n4 4 4 16\ndirect\n0.969225 0.798870 0.084836 Li\n0.969225 0.298870 0.415164 Li\n0.469226 0.701131 0.584836 Li\n0.469226 0.201131 0.915164 Li\n0.987527 0.241940 0.068972 Si\n0.987527 0.741940 0.431028 Si\n0.487527 0.258060 0.568972 Si\n0.487527 0.758060 0.931028 Si\n0.958658 0.510511 0.747763 Bi\n0.958658 0.010511 0.752237 Bi\n0.458659 0.989490 0.247763 Bi\n0.458659 0.489489 0.252237 Bi\n0.597923 0.953457 0.920829 O\n0.292680 0.716472 0.784080 O\n0.292680 0.216472 0.715920 O\n0.597923 0.453457 0.579172 O\n0.746754 0.135212 0.555781 O\n0.830567 0.759081 0.603658 O\n0.330568 0.240919 0.396342 O\n0.246754 0.364788 0.055780 O\n0.097923 0.546543 0.420829 O\n0.792680 0.783528 0.284080 O\n0.792680 0.283528 0.215920 O\n0.097923 0.046543 0.079171 O\n0.746754 0.635212 0.944220 O\n0.330568 0.740919 0.103658 O\n0.246754 0.864789 0.444220 O\n0.830567 0.259081 0.896342 O\n",
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{
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"structure_string": "Li2 Sc2 V2 O8\n1.0\n2.904943 -5.288325 0.008540\n2.904943 5.288325 -0.008540\n2.904943 1.601947 5.039863\nLi Sc V O\n2 2 2 8\ndirect\n0.117894 0.250000 0.132105 Li\n0.882104 0.749999 0.867894 Li\n0.500000 -0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Sc\n0.500000 -0.000000 0.500000 V\n-0.000001 0.500000 0.500000 V\n0.286036 0.012319 0.726282 O\n0.238601 0.512319 0.273717 O\n0.253917 0.534580 0.711502 O\n0.253917 0.965420 0.280661 O\n0.746082 0.034579 0.719338 O\n0.746082 0.465420 0.288497 O\n0.761398 0.487681 0.726282 O\n0.713963 0.987681 0.273717 O\n",
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"structure_string": "Li6 Sc2 B4 O12\n1.0\n4.783732 0.000000 -0.056889\n0.000000 5.925231 0.000000\n0.003123 0.000000 8.180458\nLi Sc B O\n6 2 4 12\ndirect\n0.515634 0.249440 0.203764 Li\n0.015634 0.250559 0.703764 Li\n0.984365 0.749440 0.296236 Li\n0.484365 0.750559 0.796236 Li\n0.000000 0.500000 0.000000 Li\n0.499999 0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.985082 0.192856 0.375467 B\n0.514917 0.692856 0.124533 B\n0.014917 0.807143 0.624533 B\n0.485082 0.307144 0.875468 B\n0.231794 0.734533 0.111104 O\n0.631473 0.583671 0.259252 O\n0.131473 0.916328 0.759253 O\n0.812011 0.251849 0.504184 O\n0.687988 0.751849 0.995816 O\n0.268205 0.234533 0.388896 O\n0.368526 0.416329 0.740748 O\n0.187988 0.748151 0.495816 O\n0.312011 0.248151 0.004184 O\n0.868526 0.083671 0.240748 O\n0.768205 0.265467 0.888896 O\n0.731794 0.765467 0.611104 O\n",
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"volume_molar": 5.818236614362867,
"formula_full": "Li6 Sc2 B4 O12",
"formula_reduced": "Li3Sc(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.6245101180555555,
"spacegroup": 14
}
]
}