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{
"id": "jvasp-46906",
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{
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{
"id": "jvasp-42919",
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"updated_at": "2022-09-04T14:38:10.067653Z",
"structure_string": "Mn8 O14 F2\n1.0\n6.461603 -0.008027 -0.018503\n-0.717380 6.421663 -0.018609\n-2.808420 -3.135981 5.417003\nMn O F\n8 14 2\ndirect\n0.695320 0.446077 0.139345 Mn\n0.803773 0.049495 0.856058 Mn\n0.323590 0.547749 0.354134 Mn\n0.196077 0.945322 0.639347 Mn\n0.799496 0.053771 0.356058 Mn\n0.697601 0.448108 0.648480 Mn\n0.198109 0.947601 0.148479 Mn\n0.297752 0.573589 0.854138 Mn\n0.902848 0.981018 0.617326 O\n0.400372 0.479046 0.619243 O\n0.268895 0.856378 0.883708 O\n0.631498 0.718344 0.115906 O\n0.229046 0.650374 0.119248 O\n0.867701 0.778221 0.882756 O\n0.964636 0.388897 0.618436 O\n0.138899 0.214634 0.118437 O\n0.528217 0.117701 0.382753 O\n0.764164 0.347777 0.881302 O\n0.731018 0.152851 0.117330 O\n0.606380 0.518894 0.383713 O\n0.097779 0.014163 0.381306 O\n0.468346 0.881497 0.615905 O\n0.351725 0.286764 0.883298 F\n0.036757 0.601722 0.383295 F\n",
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"volume": 223.9903876039465,
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{
"id": "jvasp-108883",
"created_at": "2022-09-04T14:38:10.069137Z",
"updated_at": "2022-09-04T14:38:10.069147Z",
"structure_string": "Mg1 Ga1 Pt2\n1.0\n3.839284 -0.000000 2.216612\n1.279761 3.619712 2.216612\n-0.000000 -0.000000 4.433224\nMg Ga Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Pt\n0.749999 0.750000 0.749999 Pt\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-50002",
"created_at": "2022-09-04T14:38:10.741954Z",
"updated_at": "2022-09-04T14:38:10.741975Z",
"structure_string": "Ba8 O2 F12\n1.0\n4.453964 -7.714491 0.000000\n4.453964 7.714491 -0.000000\n0.000000 0.000000 6.582820\nBa O F\n8 2 12\ndirect\n0.365927 0.182964 0.020782 Ba\n0.666666 0.333333 0.532619 Ba\n0.817035 0.634072 0.020782 Ba\n0.817036 0.182963 0.020782 Ba\n0.182963 0.817036 0.520782 Ba\n0.333333 0.666666 0.032619 Ba\n0.182964 0.365927 0.520782 Ba\n0.634072 0.817035 0.520782 Ba\n0.666666 0.333333 0.908163 O\n0.333333 0.666666 0.408163 O\n0.149811 0.299621 0.111279 F\n0.468832 0.937665 0.779305 F\n0.062334 0.531167 0.779305 F\n0.850189 0.149810 0.611279 F\n0.149810 0.850189 0.111279 F\n0.299621 0.149811 0.611279 F\n0.531167 0.062334 0.279305 F\n0.850189 0.700378 0.611279 F\n0.531167 0.468832 0.279305 F\n0.468832 0.531167 0.779305 F\n0.937665 0.468832 0.279305 F\n0.700378 0.850189 0.111279 F\n",
"nsites": 22,
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"elements": [
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{
"id": "jvasp-46821",
"created_at": "2022-09-04T14:38:10.749918Z",
"updated_at": "2022-09-04T14:38:10.749939Z",
"structure_string": "Li3 Co4 S8\n1.0\n-0.000000 -0.000000 -6.735094\n1.954695 6.202296 -3.367547\n5.833104 0.005952 -3.367547\nLi Co S\n3 4 8\ndirect\n0.356474 0.426537 0.359227 Li\n0.857761 0.426537 0.359227 Li\n0.356520 0.426527 0.860435 Li\n0.998734 0.999122 0.003411 Co\n0.996716 0.990449 0.508781 Co\n0.504053 0.990449 0.508781 Co\n0.504047 0.990492 0.001415 Co\n0.267651 0.193227 0.271471 S\n0.769414 0.187594 0.273578 S\n0.730312 0.807757 0.233719 S\n0.228212 0.807757 0.233719 S\n0.269766 0.187583 0.773230 S\n0.769421 0.187583 0.773230 S\n0.228193 0.807762 0.735853 S\n0.730183 0.803875 0.735760 S\n",
"nsites": 15,
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"elements": [
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"volume": 243.58816666884647,
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"formula_full": "Li3 Co4 S8",
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{
"id": "jvasp-12877",
"created_at": "2022-09-04T14:38:10.861924Z",
"updated_at": "2022-09-04T14:38:10.861949Z",
"structure_string": "Na12 Al4 Se12\n1.0\n7.184096 0.000000 0.000000\n0.000000 7.473812 -0.063524\n0.000000 -0.026097 13.203020\nNa Al Se\n12 4 12\ndirect\n0.471349 0.724052 0.785994 Na\n0.971349 0.775948 0.714007 Na\n0.528651 0.275948 0.214006 Na\n0.028651 0.224052 0.285994 Na\n0.505233 0.339500 0.610967 Na\n0.005233 0.160499 0.889033 Na\n0.494768 0.660499 0.389033 Na\n0.994768 0.839500 0.110967 Na\n0.505103 0.210359 0.899957 Na\n0.005102 0.289640 0.600043 Na\n0.494898 0.789640 0.100043 Na\n0.994898 0.710359 0.399958 Na\n0.639933 0.083240 0.418581 Al\n0.139933 0.416760 0.081419 Al\n0.360067 0.916760 0.581419 Al\n0.860068 0.583239 0.918582 Al\n0.702236 0.920489 0.571956 Se\n0.202236 0.579511 0.928045 Se\n0.297764 0.079511 0.428045 Se\n0.797765 0.420489 0.071956 Se\n0.261457 0.072971 0.728512 Se\n0.761457 0.427028 0.771488 Se\n0.738544 0.927028 0.271488 Se\n0.238544 0.572971 0.228512 Se\n0.744106 0.878703 0.926443 Se\n0.244105 0.621296 0.573557 Se\n0.255895 0.121297 0.073557 Se\n0.755895 0.378703 0.426443 Se\n",
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{
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"updated_at": "2022-09-04T14:38:10.920859Z",
"structure_string": "Tm2 Pd1 Au1\n1.0\n4.279636 -0.000000 2.470849\n1.426545 4.034880 2.470849\n-0.000000 -0.000000 4.941698\nTm Pd Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750001 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500000 0.500000 Au\n",
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{
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"created_at": "2022-09-04T14:38:10.946337Z",
"updated_at": "2022-09-04T14:38:10.946367Z",
"structure_string": "K4 Zn2 Br8\n1.0\n0.000000 7.238563 -0.047501\n7.365834 0.000000 0.000000\n0.000000 -2.908304 -8.498867\nK Zn Br\n4 2 8\ndirect\n0.230612 0.750000 0.429380 K\n0.769388 0.250000 0.570620 K\n0.283072 0.750000 0.948663 K\n0.716928 0.250000 0.051337 K\n0.718092 0.750000 0.796728 Zn\n0.281908 0.250000 0.203272 Zn\n0.899851 0.750000 0.075590 Br\n0.100149 0.250000 0.924410 Br\n0.916857 0.750000 0.624831 Br\n0.083143 0.250000 0.375169 Br\n0.493440 0.005715 0.736570 Br\n0.506561 0.505715 0.263430 Br\n0.506561 0.994284 0.263430 Br\n0.493440 0.494284 0.736570 Br\n",
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{
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"structure_string": "Li8 B4 O10\n1.0\n4.717293 3.507913 -0.009923\n-4.717293 3.507913 0.009923\n-1.938695 0.000000 5.927642\nLi B O\n8 4 10\ndirect\n0.666689 0.928482 0.729129 Li\n0.340089 0.615828 0.503592 Li\n0.071517 0.333310 0.229129 Li\n0.384171 0.659909 0.003593 Li\n0.615827 0.340090 0.996407 Li\n0.928481 0.666689 0.770871 Li\n0.659909 0.384171 0.496407 Li\n0.333310 0.071518 0.270871 Li\n0.946154 0.761041 0.146907 B\n0.238958 0.053845 0.646907 B\n0.053844 0.238959 0.853092 B\n0.761041 0.946155 0.353092 B\n0.843938 0.313059 0.809592 O\n0.313058 0.843939 0.690408 O\n0.156060 0.686941 0.190408 O\n0.265461 0.323657 0.991423 O\n0.044289 0.044290 0.750000 O\n0.676342 0.734538 0.491423 O\n0.323656 0.265462 0.508577 O\n0.955710 0.955710 0.250000 O\n0.734538 0.676342 0.008578 O\n0.686940 0.156061 0.309592 O\n",
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{
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"created_at": "2022-09-04T14:38:10.989018Z",
"updated_at": "2022-09-04T14:38:10.989044Z",
"structure_string": "Pt1 I6 N2\n1.0\n-5.177662 -5.177662 -0.000000\n-5.177662 -0.000000 -5.177662\n-0.000000 -5.177662 -5.177662\nPt I N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.744112 0.744112 0.255887 I\n0.744112 0.255887 0.255887 I\n0.744112 0.255887 0.744112 I\n0.255887 0.744112 0.744112 I\n0.255887 0.744112 0.255887 I\n0.255887 0.255887 0.744112 I\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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"volume": 277.6074289581033,
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"formula_full": "Pt1 I6 N2",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:38:10.617539Z",
"updated_at": "2022-09-04T14:38:10.617560Z",
"structure_string": "Dy1 Al8 Cr4\n1.0\n0.000000 -0.000000 -5.072684\n-4.452142 -4.452142 2.536342\n-4.452142 4.452142 -2.536342\nDy Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.499999 0.223355 0.223355 Al\n0.276645 0.776645 0.223355 Al\n0.000000 0.334387 0.334387 Al\n0.665611 0.665612 0.334387 Al\n0.334386 0.334387 0.665612 Al\n0.000000 0.665612 0.665612 Al\n0.499999 0.776645 0.776645 Al\n0.723355 0.223355 0.776645 Al\n0.000000 0.500000 -0.000000 Cr\n0.500001 0.500000 0.000000 Cr\n0.000001 -0.000000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n",
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],
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"volume": 201.09710563509063,
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"formula_full": "Dy1 Al8 Cr4",
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]
}