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{
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{
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"structure_string": "Li8 B4 O10\n1.0\n3.589237 4.829852 0.000000\n-3.589237 4.829852 0.000000\n0.000000 1.954629 5.733038\nLi B O\n8 4 10\ndirect\n0.328224 0.934613 0.235219 Li\n0.658001 0.609728 0.032690 Li\n0.934613 0.328224 0.735219 Li\n0.609728 0.658001 0.532690 Li\n0.390272 0.341999 0.467310 Li\n0.065387 0.671776 0.264781 Li\n0.341999 0.390272 0.967310 Li\n0.671776 0.065387 0.764781 Li\n0.944761 0.247310 0.341164 B\n0.247310 0.944761 0.841164 B\n0.752690 0.055239 0.158836 B\n0.055239 0.752690 0.658836 B\n0.675205 0.852224 0.215141 O\n0.852224 0.675205 0.715141 O\n0.736788 0.335433 0.480987 O\n0.954633 0.045367 0.250000 O\n0.335433 0.736788 0.980987 O\n0.664567 0.263212 0.019013 O\n0.045367 0.954633 0.750000 O\n0.263212 0.664567 0.519013 O\n0.147776 0.324795 0.284859 O\n0.324795 0.147776 0.784859 O\n",
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"formula_full": "Li8 B4 O10",
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{
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"structure_string": "Lu2 Ta2 O5\n1.0\n3.467827 0.000000 0.000000\n0.000000 3.467827 0.000000\n0.000000 0.000000 9.762975\nLu Ta O\n2 2 5\ndirect\n0.500000 0.500000 0.735648 Lu\n0.500000 0.500000 0.264352 Lu\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.876247 O\n0.000000 0.500000 0.123753 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.876247 O\n0.500000 0.000000 0.123753 O\n",
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{
"id": "mp-1176044",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.132206 0.000000 0.000000\n0.021128 5.856188 0.000000\n1.740434 0.057123 9.545574\nLi Mn Co O\n9 2 5 16\ndirect\n0.500237 0.250524 0.003510 Li\n0.250261 0.490548 0.250673 Li\n0.502367 0.753231 0.002247 Li\n0.248449 0.007570 0.249648 Li\n0.752336 0.000663 0.749337 Li\n0.747628 0.499706 0.751613 Li\n0.998027 0.749450 0.498871 Li\n0.999426 0.246814 0.495636 Li\n0.749408 0.247307 0.249371 Li\n0.001513 0.004710 0.003827 Mn\n0.495866 0.998162 0.495785 Mn\n0.514742 0.493714 0.488833 Co\n0.250805 0.746520 0.750883 Co\n0.992572 0.499341 0.009880 Co\n0.749514 0.753401 0.249885 Co\n0.249600 0.253478 0.748455 Co\n0.347548 0.010864 0.873441 O\n0.123189 0.240032 0.114740 O\n0.356332 0.503602 0.874062 O\n0.123833 0.765862 0.115654 O\n0.598600 0.758152 0.621943 O\n0.612408 0.234163 0.614949 O\n0.849408 0.512348 0.375905 O\n0.835163 0.983066 0.376846 O\n0.654910 0.520008 0.126397 O\n0.375581 0.758272 0.384487 O\n0.663305 0.989832 0.121005 O\n0.376490 0.236956 0.385384 O\n0.886748 0.242666 0.884866 O\n0.900763 0.764047 0.878054 O\n0.151460 0.995969 0.622566 O\n0.141510 0.489025 0.631248 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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{
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"structure_string": "Ca28 Ga11\n1.0\n5.280969 0.000000 -0.454217\n-0.077479 7.419125 -0.900806\n0.003484 -0.004672 30.967257\nCa Ga\n28 11\ndirect\n0.817783 0.918460 0.635566 Ca\n0.560004 0.234883 0.120009 Ca\n0.724037 0.253698 0.448073 Ca\n0.637204 0.172746 0.274408 Ca\n0.323933 0.241798 0.647866 Ca\n0.853153 0.566956 0.706306 Ca\n0.543465 0.670486 0.086929 Ca\n0.000000 0.555241 0.000000 Ca\n0.617333 0.594302 0.234665 Ca\n0.917109 0.530224 0.834219 Ca\n0.262192 0.258413 0.524384 Ca\n0.275963 0.805625 0.551927 Ca\n0.903345 0.989621 0.806689 Ca\n0.362796 0.898339 0.725592 Ca\n0.456535 0.583557 0.913071 Ca\n0.676067 0.593932 0.352134 Ca\n0.439996 0.114874 0.879991 Ca\n0.146847 0.860651 0.293695 Ca\n0.096655 0.182932 0.193311 Ca\n0.793980 0.468287 0.587960 Ca\n0.382667 0.359637 0.765335 Ca\n0.500000 0.238900 0.000000 Ca\n0.737808 0.734030 0.475616 Ca\n0.970092 0.929889 0.940184 Ca\n0.082891 0.696005 0.165781 Ca\n0.206020 0.880327 0.412040 Ca\n0.182217 0.282894 0.364434 Ca\n0.029908 0.989706 0.059816 Ca\n0.680182 0.004662 0.360364 Ga\n0.139359 0.448363 0.278718 Ga\n0.772969 0.065024 0.545939 Ga\n0.956496 0.313303 0.912992 Ga\n0.319818 0.644299 0.639636 Ga\n0.860641 0.169644 0.721282 Ga\n0.043504 0.400312 0.087008 Ga\n0.590879 0.931292 0.181757 Ga\n0.409121 0.749535 0.818243 Ga\n0.227031 0.519085 0.454061 Ga\n0.500000 0.832067 0.000000 Ga\n",
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{
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