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{
"id": "jvasp-120925",
"created_at": "2022-09-04T14:38:49.724629Z",
"updated_at": "2022-09-04T14:38:49.724663Z",
"structure_string": "Cd1 C1 N2\n1.0\n2.931557 0.000000 0.000000\n0.000000 2.931557 0.000000\n0.000000 0.000000 5.183259\nCd C N\n1 1 2\ndirect\n0.500001 0.500001 0.434446 Cd\n0.000000 0.000000 0.897628 C\n0.000000 0.000000 0.657925 N\n0.500001 0.500001 0.020001 N\n",
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{
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"structure_string": "Ca2 Al1 H8 S2 Cl1 O12 F2\n1.0\n-3.423878 3.423878 6.649633\n3.423878 -3.423878 6.649633\n3.423878 3.423878 -6.649633\nCa Al H S Cl O F\n2 1 8 2 1 12 2\ndirect\n0.300637 0.300637 0.000000 Ca\n0.699362 0.699362 0.000000 Ca\n0.000000 0.000000 0.000000 Al\n0.046842 0.599378 0.768847 H\n0.830531 0.277994 0.231153 H\n0.277994 0.046842 0.447464 H\n0.599377 0.830531 0.552537 H\n0.953158 0.400622 0.231153 H\n0.169469 0.722006 0.768847 H\n0.722005 0.953158 0.552537 H\n0.400622 0.169469 0.447464 H\n0.750000 0.250000 0.500000 S\n0.250000 0.750000 0.500000 S\n0.500000 0.500000 0.000000 Cl\n0.652287 0.246160 0.268589 O\n0.977572 0.383699 0.731412 O\n0.383699 0.652287 0.406128 O\n0.246160 0.977572 0.593873 O\n0.347712 0.753840 0.731412 O\n0.022428 0.616301 0.268589 O\n0.616301 0.347712 0.593873 O\n0.753840 0.022428 0.406128 O\n0.053630 0.723218 0.776849 O\n0.946370 0.276782 0.223152 O\n0.276783 0.053630 0.330413 O\n0.723217 0.946370 0.669588 O\n0.133795 0.133795 0.000000 F\n0.866205 0.866205 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:37:36.045602Z",
"updated_at": "2022-09-04T14:37:36.045631Z",
"structure_string": "Mn4 O2 F8\n1.0\n2.767096 -0.000000 -0.000000\n-1.383547 4.795554 0.000000\n0.000000 0.000000 11.748480\nMn O F\n4 2 8\ndirect\n0.081447 0.162895 0.191052 Mn\n0.252388 0.504773 0.903611 Mn\n0.747613 0.495226 0.403611 Mn\n0.918553 0.837104 0.691052 Mn\n0.330273 0.660545 0.765840 O\n0.669727 0.339454 0.265840 O\n0.182915 0.365829 0.058120 F\n0.122826 0.245654 0.450228 F\n0.456406 0.912812 0.142707 F\n0.381087 0.762174 0.365764 F\n0.618913 0.237825 0.865764 F\n0.543595 0.087187 0.642707 F\n0.817085 0.634170 0.558120 F\n0.877174 0.754346 0.950228 F\n",
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"formula_full": "Mn4 O2 F8",
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{
"id": "jvasp-55387",
"created_at": "2022-09-04T14:38:35.266828Z",
"updated_at": "2022-09-04T14:38:35.266852Z",
"structure_string": "Mg4 Mo6 O16\n1.0\n2.897363 -5.018379 0.000000\n2.897363 5.018379 -0.000000\n0.000000 0.000000 9.956130\nMg Mo O\n4 6 16\ndirect\n0.666667 0.333332 0.008177 Mg\n0.333332 0.666667 0.508177 Mg\n0.666667 0.333332 0.442814 Mg\n0.333332 0.666667 0.942814 Mg\n0.146072 0.853927 0.246334 Mo\n0.853926 0.707853 0.746334 Mo\n0.292146 0.146073 0.746334 Mo\n0.853927 0.146072 0.746334 Mo\n0.707853 0.853926 0.246334 Mo\n0.146073 0.292146 0.246334 Mo\n0.487425 0.974850 0.362550 O\n0.974850 0.487425 0.862550 O\n0.333332 0.666667 0.140483 O\n0.000000 0.000000 0.889121 O\n0.000000 0.000000 0.389121 O\n0.512574 0.025149 0.862550 O\n0.025149 0.512574 0.362550 O\n0.167274 0.334548 0.628752 O\n0.167274 0.832725 0.628752 O\n0.334548 0.167274 0.128752 O\n0.832725 0.665451 0.128752 O\n0.487425 0.512574 0.362550 O\n0.665451 0.832725 0.628752 O\n0.832725 0.167274 0.128752 O\n0.512574 0.487425 0.862550 O\n0.666667 0.333332 0.640483 O\n",
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"formula_full": "Mg4 Mo6 O16",
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{
"id": "jvasp-99072",
"created_at": "2022-09-04T14:36:02.790428Z",
"updated_at": "2022-09-04T14:36:02.790449Z",
"structure_string": "Ba1 Mn4 O8\n1.0\n3.015071 0.000050 0.679637\n1.503784 6.843251 0.356964\n0.002117 -0.015593 7.016532\nBa Mn O\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Ba\n0.651087 0.184540 0.513337 Mn\n0.348913 0.815458 0.486662 Mn\n0.164326 0.486746 0.184523 Mn\n0.835679 0.513252 0.815473 Mn\n0.457395 0.375408 0.709887 O\n0.542603 0.624592 0.290111 O\n0.832986 0.709650 0.624356 O\n0.167014 0.290351 0.375644 O\n0.849936 0.955361 0.344755 O\n0.194755 0.655249 0.955191 O\n0.150061 0.044640 0.655242 O\n0.805243 0.344753 0.044809 O\n",
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"spacegroup": 87
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{
"id": "jvasp-19255",
"created_at": "2022-09-04T14:38:31.477550Z",
"updated_at": "2022-09-04T14:38:31.477577Z",
"structure_string": "Mg4 Mo6 O16\n1.0\n2.897245 -5.018176 -0.000000\n2.897245 5.018176 0.000000\n-0.000000 -0.000000 9.956849\nMg Mo O\n4 6 16\ndirect\n0.333334 0.666668 0.557164 Mg\n0.666668 0.333334 0.057164 Mg\n0.333334 0.666668 0.991836 Mg\n0.666668 0.333334 0.491836 Mg\n0.853927 0.707852 0.753667 Mo\n0.853927 0.146075 0.753667 Mo\n0.292150 0.146074 0.753667 Mo\n0.707852 0.853927 0.253667 Mo\n0.146075 0.853927 0.253667 Mo\n0.146074 0.292150 0.253667 Mo\n0.974859 0.487430 0.637452 O\n0.832724 0.167277 0.371244 O\n0.167277 0.334554 0.871244 O\n0.665447 0.832724 0.871244 O\n0.167277 0.832724 0.871244 O\n0.512572 0.025142 0.637452 O\n0.512572 0.487430 0.637452 O\n0.333334 0.666668 0.359513 O\n0.025142 0.512572 0.137452 O\n0.487430 0.512572 0.137452 O\n0.666668 0.333334 0.859513 O\n0.334554 0.167277 0.371244 O\n0.000000 0.000000 0.610891 O\n0.000000 0.000000 0.110890 O\n0.487430 0.974859 0.137452 O\n0.832724 0.665447 0.371244 O\n",
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{
"id": "jvasp-105495",
"created_at": "2022-09-04T14:38:44.558034Z",
"updated_at": "2022-09-04T14:38:44.558064Z",
"structure_string": "Hf1 Nb2 V1 C4\n1.0\n3.125264 -0.001451 9.956011\n1.524716 2.728097 9.956011\n-0.002474 -0.001451 10.435009\nHf Nb V C\n1 2 1 4\ndirect\n0.003133 0.003134 0.003133 Hf\n0.496872 0.496872 0.496871 Nb\n0.248821 0.248821 0.248820 Nb\n0.751578 0.751579 0.751576 V\n0.873097 0.873098 0.873095 C\n0.624904 0.624905 0.624903 C\n0.380147 0.380147 0.380146 C\n0.121450 0.121450 0.121449 C\n",
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{
"id": "jvasp-104766",
"created_at": "2022-09-04T14:36:55.496812Z",
"updated_at": "2022-09-04T14:36:55.496823Z",
"structure_string": "Al1 Ga1 N2\n1.0\n3.163906 -0.000000 0.000000\n-1.581952 2.740023 0.000000\n-0.000000 -0.000000 5.137860\nAl Ga N\n1 1 2\ndirect\n0.000000 0.000000 0.999181 Al\n0.666668 0.333333 0.496915 Ga\n0.666668 0.333333 0.111402 N\n0.000000 0.000000 0.628903 N\n",
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{
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"created_at": "2022-09-04T14:38:32.871231Z",
"updated_at": "2022-09-04T14:38:32.871255Z",
"structure_string": "Tc2 O3 F1\n1.0\n2.788837 0.000000 0.000000\n0.000000 3.365039 3.559559\n0.000000 -3.365039 3.559559\nTc O F\n2 3 1\ndirect\n0.000000 0.020872 0.020872 Tc\n0.500001 0.482083 0.482083 Tc\n0.500001 0.214818 0.214818 O\n0.000000 0.286049 0.714206 O\n0.000000 0.714206 0.286049 O\n0.500001 0.781973 0.781973 F\n",
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{
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"created_at": "2022-09-04T14:36:42.962608Z",
"updated_at": "2022-09-04T14:36:42.962632Z",
"structure_string": "Ga1 Sb1 O4\n1.0\n4.637946 0.014613 0.000000\n-0.176302 4.634617 0.000000\n-0.000000 -0.000000 3.107660\nGa Sb O\n1 1 4\ndirect\n0.500001 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Sb\n0.195384 0.804617 0.500000 O\n0.804617 0.195383 0.500000 O\n0.307464 0.307464 -0.000000 O\n0.692537 0.692536 -0.000000 O\n",
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{
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"structure_string": "Sc2 O2 F2\n1.0\n3.606869 0.000000 -0.000000\n0.000000 3.606869 0.000000\n0.000000 0.000000 5.135214\nSc O F\n2 2 2\ndirect\n0.000000 0.499999 0.707878 Sc\n0.499999 0.000000 0.292120 Sc\n0.499999 0.499999 0.499999 O\n0.000000 0.000000 0.499999 O\n0.000000 0.000000 0.000000 F\n0.499999 0.499999 0.000000 F\n",
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},
{
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"updated_at": "2022-09-04T14:37:16.688525Z",
"structure_string": "Mn8 Zn2 O18\n1.0\n4.441758 0.000080 0.000122\n0.000253 8.377793 0.000055\n0.000467 0.000058 8.377993\nMn Zn O\n8 2 18\ndirect\n0.580019 0.533561 0.340326 Mn\n0.419981 0.840331 0.466441 Mn\n0.580035 0.340331 0.966435 Mn\n0.419961 0.033559 0.840331 Mn\n0.580039 0.966442 0.159669 Mn\n0.580016 0.159668 0.533559 Mn\n0.419982 0.466438 0.659671 Mn\n0.419970 0.659670 0.033562 Mn\n0.969842 0.749993 0.750008 Zn\n0.030159 0.250006 0.249993 Zn\n0.551638 0.857339 0.956282 O\n0.551634 0.543724 0.857334 O\n0.448369 0.456277 0.142662 O\n0.448353 0.357341 0.456284 O\n0.448365 0.142662 0.043718 O\n0.448368 0.043722 0.357341 O\n0.946886 0.181433 0.484123 O\n0.946900 0.015881 0.181428 O\n0.053104 0.515870 0.681438 O\n0.946899 0.318569 0.015863 O\n0.053111 0.818566 0.515879 O\n0.053101 0.984120 0.818573 O\n0.551646 0.642657 0.543713 O\n0.053103 0.681432 0.984134 O\n0.500000 0.250000 0.750000 O\n0.499999 0.750001 0.249998 O\n0.946897 0.484128 0.318559 O\n0.551630 0.956277 0.642659 O\n",
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}
]
}