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{
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{
"id": "jvasp-31907",
"created_at": "2022-09-04T14:38:06.948513Z",
"updated_at": "2022-09-04T14:38:06.948538Z",
"structure_string": "Os2 Se4 Cl24\n1.0\n8.036220 0.023061 -2.712342\n-1.716603 7.850773 -2.712342\n-0.019690 -0.024533 12.049259\nOs Se Cl\n2 4 24\ndirect\n0.665006 0.665006 0.330011 Os\n0.415006 0.915006 0.830011 Os\n0.477798 0.036244 0.497417 Se\n0.786244 0.727797 0.997417 Se\n0.211173 0.269619 0.997417 Se\n0.019619 0.461173 0.497417 Se\n0.039725 0.861221 0.151482 Cl\n0.626552 0.788868 0.177843 Cl\n0.937551 0.627681 0.329960 Cl\n0.212820 0.028779 0.489653 Cl\n0.377681 0.187551 0.829960 Cl\n0.301724 0.951841 0.988672 Cl\n0.611221 0.289725 0.651482 Cl\n0.138976 0.801291 0.677843 Cl\n0.964962 0.136614 0.837189 Cl\n0.786830 0.936947 0.488672 Cl\n0.686947 0.036830 0.988672 Cl\n0.886614 0.214962 0.337189 Cl\n0.276833 0.460875 0.489653 Cl\n0.210876 0.526833 0.989653 Cl\n0.452279 0.642409 0.829961 Cl\n0.111757 0.290261 0.151482 Cl\n0.551291 0.388975 0.177843 Cl\n0.701842 0.551724 0.488672 Cl\n0.450574 0.122227 0.337189 Cl\n0.538868 0.876552 0.677843 Cl\n0.778779 0.462820 0.989653 Cl\n0.872227 0.700574 0.837189 Cl\n0.392409 0.702279 0.329960 Cl\n0.040261 0.361757 0.651482 Cl\n",
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],
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{
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"structure_string": "Ce1 Bi1\n1.0\n3.965454 -0.000000 2.289456\n1.321818 3.738666 2.289456\n-0.000000 0.000000 4.578912\nCe Bi\n1 1\ndirect\n0.500000 0.500001 0.500001 Ce\n0.000000 0.000000 0.000000 Bi\n",
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"elements": [
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"density": 8.53930618343766,
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"volume": 67.88469669043484,
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"spacegroup": 225
},
{
"id": "jvasp-33679",
"created_at": "2022-09-04T14:38:06.942185Z",
"updated_at": "2022-09-04T14:38:06.942207Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n2.435276 4.541183 -0.034427\n-2.435276 4.541183 0.034427\n-1.276408 0.000000 9.488000\nB Cl O F\n2 2 4 8\ndirect\n0.409510 0.450495 0.515608 B\n0.549504 0.590489 0.015608 B\n0.885495 0.672329 0.751278 Cl\n0.327671 0.114504 0.251278 Cl\n0.132769 0.361127 0.809580 O\n0.857591 0.922949 0.818091 O\n0.638873 0.867230 0.309580 O\n0.077051 0.142408 0.318091 O\n0.142826 0.715368 0.564121 F\n0.498311 0.642148 0.863122 F\n0.284631 0.857173 0.064121 F\n0.357852 0.501688 0.363122 F\n0.425660 0.176610 0.560793 F\n0.680982 0.431907 0.562838 F\n0.823389 0.574339 0.060793 F\n0.568093 0.319017 0.062838 F\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.07638794880173169,
"volume": 209.45712315863736,
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"formula_full": "B2 Cl2 O4 F8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 9
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{
"id": "jvasp-18373",
"created_at": "2022-09-04T14:38:06.933569Z",
"updated_at": "2022-09-04T14:38:06.933595Z",
"structure_string": "H1 Br1\n1.0\n2.991746 -0.000000 1.727286\n0.997249 2.820645 1.727286\n-0.000000 -0.000000 3.454571\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500001 0.500001 0.500000 Br\n",
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"elements": [
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"volume": 29.151927301460393,
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{
"id": "jvasp-37370",
"created_at": "2022-09-04T14:38:06.933353Z",
"updated_at": "2022-09-04T14:38:06.933363Z",
"structure_string": "Sm2 Ge6\n1.0\n3.048247 -5.279720 -0.000000\n3.048247 5.279720 -0.000000\n0.000000 -0.000000 5.304057\nSm Ge\n2 6\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.149586 0.299170 0.250000 Ge\n0.700831 0.850415 0.250000 Ge\n0.149586 0.850415 0.250000 Ge\n0.850415 0.700831 0.750000 Ge\n0.299170 0.149586 0.750000 Ge\n0.850415 0.149586 0.750000 Ge\n",
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},
{
"id": "jvasp-46803",
"created_at": "2022-09-04T14:38:06.926731Z",
"updated_at": "2022-09-04T14:38:06.926762Z",
"structure_string": "Li4 V4 F12\n1.0\n7.092491 -0.173839 -0.105988\n-2.957560 6.448758 0.105988\n-1.849611 1.218823 5.255360\nLi V F\n4 4 12\ndirect\n0.066813 0.066813 0.750000 Li\n0.318106 0.318106 0.250000 Li\n0.681894 0.681894 0.750000 Li\n0.933187 0.933187 0.250000 Li\n0.162453 0.662765 0.697571 V\n0.337235 0.837547 0.197571 V\n0.662765 0.162452 0.802429 V\n0.837547 0.337234 0.302429 V\n0.593448 0.331172 0.428438 F\n0.668827 0.406551 0.928438 F\n0.781458 0.922182 0.883494 F\n0.664341 0.024185 0.209133 F\n0.335659 0.975815 0.790867 F\n0.077818 0.218542 0.383494 F\n0.331173 0.593449 0.071562 F\n0.406552 0.668827 0.571562 F\n0.922182 0.781458 0.616506 F\n0.975815 0.335659 0.709133 F\n0.218542 0.077818 0.116506 F\n0.024186 0.664341 0.290867 F\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.08478092136187139,
"volume": 235.90213079466037,
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"formula_full": "Li4 V4 F12",
"formula_reduced": "LiVF3",
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"spacegroup": 15
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{
"id": "jvasp-33832",
"created_at": "2022-09-04T14:38:06.926521Z",
"updated_at": "2022-09-04T14:38:06.926543Z",
"structure_string": "H16 Rh1 N5 Cl6 O3\n1.0\n-3.426108 -5.934192 0.000000\n-3.425927 5.934087 0.000395\n3.426466 -1.978271 -8.313833\nH Rh N Cl O\n16 1 5 6 3\ndirect\n0.663320 0.326634 0.989950 H\n0.755888 0.222084 0.827518 H\n0.466165 0.071595 0.827526 H\n0.875058 0.750085 0.625085 H\n0.271714 0.524961 0.538624 H\n0.253225 0.266920 0.538643 H\n0.013658 0.285390 0.538613 H\n0.728267 0.714609 0.461386 H\n0.605412 0.361337 0.827536 H\n0.746753 0.475039 0.461375 H\n0.124974 0.249914 0.374914 H\n0.394571 0.928404 0.172473 H\n0.533806 0.777916 0.172480 H\n0.244075 0.638663 0.172463 H\n0.336687 0.673367 0.010049 H\n0.986306 0.733080 0.461356 H\n-0.000008 -0.000000 -0.000000 Rh\n0.621669 0.243358 0.865051 N\n0.166587 0.333186 0.499785 N\n0.500002 -0.000000 0.499999 N\n0.378310 0.756643 0.134949 N\n0.833401 0.666814 0.500214 N\n0.906179 0.283332 0.171169 Cl\n0.377129 0.265031 0.171169 Cl\n0.887858 0.794031 0.171150 Cl\n0.093826 0.205970 0.828848 Cl\n0.112099 0.734970 0.828830 Cl\n0.622848 0.716669 0.828830 Cl\n0.314875 -0.000000 0.499999 O\n0.685129 0.185120 0.499980 O\n0.500008 0.814881 0.500019 O\n",
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{
"id": "jvasp-90770",
"created_at": "2022-09-04T14:38:06.917300Z",
"updated_at": "2022-09-04T14:38:06.917326Z",
"structure_string": "Zr6 Sn2\n1.0\n4.349942 0.000000 0.000000\n0.000000 4.349942 0.000000\n-0.000000 -0.000000 9.532048\nZr Sn\n6 2\ndirect\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.250000 Zr\n0.000000 0.500000 0.250000 Zr\n0.000000 0.000000 0.500000 Zr\n0.000000 0.500000 0.750000 Zr\n0.500000 0.000000 0.750000 Zr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
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{
"id": "jvasp-46890",
"created_at": "2022-09-04T14:38:06.912138Z",
"updated_at": "2022-09-04T14:38:06.912165Z",
"structure_string": "V3 O4 F2\n1.0\n5.000626 -0.019250 0.003702\n-2.414364 4.416586 -0.028341\n-2.418296 -1.557524 4.624559\nV O F\n3 4 2\ndirect\n0.286839 0.624620 0.940679 V\n0.709313 0.832705 0.566246 V\n0.642462 0.327768 -0.000115 V\n0.844323 0.239953 0.783565 O\n0.517673 0.579295 0.762970 O\n0.186337 0.923832 0.788589 O\n0.553361 0.504060 0.244715 O\n0.779826 0.076048 0.255089 F\n0.182660 0.719272 0.254042 F\n",
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{
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"updated_at": "2022-09-04T14:38:06.906189Z",
"structure_string": "Mg3 Ga1\n1.0\n-2.173595 2.173595 4.382132\n2.173595 -2.173595 4.382132\n2.173595 2.173595 -4.382132\nMg Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750001 0.250000 0.500001 Mg\n0.250000 0.750001 0.500001 Mg\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Si1 H2 O1\n1.0\n3.096698 -0.150705 0.445909\n-1.678863 2.907878 0.000000\n0.712892 0.411589 4.951698\nSi H O\n1 2 1\ndirect\n0.463182 0.731591 0.256687 Si\n0.467272 0.733635 0.712530 H\n0.808090 0.404044 0.208510 H\n0.203591 0.601796 0.612274 O\n",
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{
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"updated_at": "2022-09-04T14:38:06.903184Z",
"structure_string": "Li1 V1 Cr1 P4 O14\n1.0\n4.816677 0.000959 0.017819\n-2.144649 -6.609239 0.021759\n-0.070203 0.046757 -7.963550\nLi V Cr P O\n1 1 1 4 14\ndirect\n0.157958 0.674066 0.632880 Li\n0.779536 0.270018 0.492115 V\n0.213282 0.727059 0.000735 Cr\n0.598043 0.484137 0.823420 P\n0.793226 0.909457 0.218908 P\n0.223059 0.091530 0.722049 P\n0.393250 0.518656 0.313980 P\n0.161973 0.486137 0.451502 O\n0.269511 0.512835 0.138431 O\n0.383333 0.606978 0.812248 O\n0.602683 0.905654 0.064393 O\n0.609008 0.742093 0.353367 O\n0.412449 0.251002 0.857073 O\n0.741441 0.484841 0.650495 O\n0.574421 0.372619 0.330744 O\n0.122717 0.888197 0.808464 O\n0.819308 0.542077 0.964549 O\n0.867424 0.105504 0.322805 O\n0.967565 0.165053 0.667383 O\n0.413663 0.079713 0.570494 O\n0.072183 0.859533 0.181986 O\n",
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"formula_full": "Li1 V1 Cr1 P4 O14",
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]
}