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{
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{
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{
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{
"id": "mp-752838",
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"structure_string": "Li4 V6 O8 F8\n1.0\n5.009106 -0.086523 0.000042\n-0.162869 9.785417 3.055494\n0.000039 -0.000662 6.113101\nLi V O F\n4 6 8 8\ndirect\n0.064343 0.540832 0.104483 Li\n0.064342 0.540828 0.604697 Li\n0.968711 0.141009 0.054483 Li\n0.966866 0.141900 0.554023 Li\n0.030223 0.857348 0.946383 V\n0.030223 0.857339 0.446556 V\n0.468662 0.369087 0.190132 V\n0.468651 0.369104 0.690507 V\n0.529319 0.645428 0.302347 V\n0.529371 0.645932 0.802010 V\n0.291198 0.476074 0.886929 O\n0.291166 0.476049 0.386930 O\n0.309359 0.712799 0.019213 O\n0.309324 0.712797 0.518103 O\n0.692780 0.540740 0.104984 O\n0.692803 0.540730 0.604238 O\n0.813992 0.768323 0.740962 O\n0.814603 0.768159 0.241016 O\n0.169747 0.238902 0.255506 F\n0.169748 0.238905 0.755251 F\n0.229217 0.948315 0.651020 F\n0.228393 0.949133 0.150657 F\n0.664133 0.278673 0.985417 F\n0.663809 0.278477 0.485536 F\n0.832385 0.023414 0.363802 F\n0.832470 0.023447 0.862946 F\n",
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{
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"created_at": "2022-09-04T14:46:18.967220Z",
"structure_string": "Sr4 Fe3 Mo1 O12\n1.0\n-3.969645 3.969645 3.969645\n3.969645 -3.969645 3.969645\n3.969645 3.969645 -3.969645\nSr Fe Mo O\n4 3 1 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Mo\n0.242540 0.242540 0.000000 O\n0.757460 0.757460 0.000000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.000000 0.757460 0.757460 O\n0.000000 0.242540 0.242540 O\n0.500000 0.750000 0.250000 O\n0.250000 0.500000 0.750000 O\n0.757460 0.000000 0.757460 O\n0.750000 0.500000 0.250000 O\n0.242540 0.000000 0.242540 O\n",
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{
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{
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},
{
"id": "mp-1175865",
"created_at": "2022-09-04T14:46:19.013642Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.080579 0.000000 0.000000\n0.878805 5.082791 0.000000\n0.696551 1.544400 11.178661\nLi Mn Co O\n9 2 5 16\ndirect\n0.251355 0.441122 0.064966 Li\n0.745279 0.565096 0.942342 Li\n0.249472 0.688833 0.814225 Li\n0.252600 0.187898 0.305560 Li\n0.742379 0.308669 0.184260 Li\n0.252713 0.937456 0.562940 Li\n0.753290 0.060660 0.435542 Li\n0.748934 0.809460 0.690044 Li\n0.499785 0.875990 0.123903 Li\n0.002254 0.994289 0.002212 Mn\n0.000928 0.502622 0.499579 Mn\n0.500522 0.116150 0.883009 Co\n0.002799 0.246322 0.751559 Co\n0.501301 0.375251 0.627404 Co\n0.497878 0.627723 0.365355 Co\n0.988869 0.763788 0.245682 Co\n0.109297 0.084258 0.147534 O\n0.641840 0.208098 0.019507 O\n0.119607 0.313652 0.905914 O\n0.126782 0.812910 0.412597 O\n0.642527 0.948891 0.284302 O\n0.120376 0.579138 0.650276 O\n0.645078 0.696006 0.526603 O\n0.625665 0.451431 0.773458 O\n0.351662 0.802936 0.966388 O\n0.875644 0.919436 0.848949 O\n0.372338 0.048960 0.723541 O\n0.366550 0.540602 0.229518 O\n0.891214 0.684370 0.088177 O\n0.359897 0.301644 0.478743 O\n0.880236 0.420297 0.353479 O\n0.880930 0.186042 0.592433 O\n",
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
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"formula_full": "Li9 Mn2 Co5 O16",
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},
{
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"structure_string": "Ba2 Sm4 Mo8 O32\n1.0\n6.446033 2.700159 0.000000\n-6.446033 2.700159 0.000000\n0.000000 0.443401 19.682624\nBa Sm Mo O\n2 4 8 32\ndirect\n0.531945 0.468055 0.250000 Ba\n0.468055 0.531945 0.750000 Ba\n0.645446 0.349108 0.467171 Sm\n0.354554 0.650892 0.532829 Sm\n0.650892 0.354554 0.032829 Sm\n0.349108 0.645446 0.967171 Sm\n0.931898 0.047400 0.091138 Mo\n0.068102 0.952600 0.908862 Mo\n0.952600 0.068102 0.408862 Mo\n0.047400 0.931898 0.591138 Mo\n0.243184 0.764014 0.149960 Mo\n0.756816 0.235986 0.850040 Mo\n0.235986 0.756816 0.350040 Mo\n0.764014 0.243184 0.649960 Mo\n0.679828 0.020157 0.046141 O\n0.320172 0.979843 0.953859 O\n0.979843 0.320172 0.453859 O\n0.020157 0.679828 0.546141 O\n0.417428 0.901755 0.432217 O\n0.582572 0.098245 0.567783 O\n0.098245 0.582572 0.067783 O\n0.901755 0.417428 0.932217 O\n0.800987 0.964582 0.330213 O\n0.199013 0.035418 0.669787 O\n0.035418 0.199013 0.169787 O\n0.964582 0.800987 0.830213 O\n0.722856 0.814344 0.603190 O\n0.277144 0.185656 0.396810 O\n0.185656 0.277144 0.896810 O\n0.814344 0.722856 0.103190 O\n0.409362 0.111812 0.135320 O\n0.590638 0.888188 0.864680 O\n0.888188 0.590638 0.364680 O\n0.111812 0.409362 0.635320 O\n0.729605 0.762764 0.464303 O\n0.270395 0.237236 0.535697 O\n0.237236 0.270395 0.035697 O\n0.762764 0.729605 0.964303 O\n0.483779 0.762447 0.175123 O\n0.516221 0.237553 0.824877 O\n0.237553 0.516221 0.324877 O\n0.762447 0.483779 0.675123 O\n0.403258 0.014973 0.288104 O\n0.596742 0.985027 0.711896 O\n0.985027 0.596742 0.211896 O\n0.014973 0.403258 0.788104 O\n",
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],
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"formula_full": "Ba2 Sm4 Mo8 O32",
"formula_reduced": "BaSm2(MoO4)4",
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}
]
}