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{
"id": "jvasp-32778",
"created_at": "2022-09-04T14:36:46.193638Z",
"updated_at": "2022-09-04T14:36:46.193658Z",
"structure_string": "Bi4 Se4 Br4\n1.0\n4.149688 -0.000000 0.000000\n-0.000000 8.295876 0.000000\n0.000000 0.000000 10.589071\nBi Se Br\n4 4 4\ndirect\n0.250000 0.866637 0.133380 Bi\n0.250000 0.366637 0.366620 Bi\n0.750000 0.633364 0.633380 Bi\n0.750000 0.133363 0.866620 Bi\n0.750000 0.316556 0.549251 Se\n0.250000 0.183444 0.049251 Se\n0.250000 0.683444 0.450749 Se\n0.750000 0.816556 0.950749 Se\n0.750000 0.020281 0.313280 Br\n0.750000 0.520281 0.186720 Br\n0.250000 0.979720 0.686720 Br\n0.250000 0.479720 0.813280 Br\n",
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{
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"structure_string": "Bi4 Se4 Cl4\n1.0\n4.233089 0.000000 0.000000\n0.000000 8.347894 0.000000\n0.000000 0.000000 9.252916\nBi Se Cl\n4 4 4\ndirect\n0.250000 0.187453 0.094334 Bi\n0.750000 0.312546 0.594335 Bi\n0.750000 0.812546 0.905666 Bi\n0.250000 0.687453 0.405666 Bi\n0.250000 0.530656 0.671818 Se\n0.250000 0.030656 0.828183 Se\n0.750000 0.469344 0.328183 Se\n0.750000 0.969343 0.171818 Se\n0.750000 0.350852 0.933977 Cl\n0.750000 0.850852 0.566023 Cl\n0.250000 0.649147 0.066023 Cl\n0.250000 0.149147 0.433977 Cl\n",
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{
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"structure_string": "Bi4 Se4 I4\n1.0\n4.258323 0.000000 0.000000\n0.000000 8.824060 0.000000\n0.000000 0.000000 10.739937\nBi Se I\n4 4 4\ndirect\n0.750000 0.128224 0.128750 Bi\n0.250000 0.871776 0.871250 Bi\n0.750000 0.628224 0.371250 Bi\n0.250000 0.371776 0.628750 Bi\n0.250000 0.170336 0.950084 Se\n0.750000 0.329664 0.450084 Se\n0.250000 0.670336 0.549916 Se\n0.750000 0.829664 0.049916 Se\n0.250000 0.484764 0.172859 I\n0.750000 0.015236 0.672859 I\n0.250000 0.984764 0.327141 I\n0.750000 0.515236 0.827141 I\n",
"nsites": 12,
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"density": 6.827882302426187,
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"volume": 403.5606255068691,
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"formula_full": "Bi4 Se4 I4",
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"spacegroup": 62
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{
"id": "jvasp-100032",
"created_at": "2022-09-04T14:36:36.396584Z",
"updated_at": "2022-09-04T14:36:36.396612Z",
"structure_string": "Bi4 Te2\n1.0\n6.472808 -0.118768 -1.531703\n-4.071364 5.033423 -1.531703\n0.058033 0.118768 6.651315\nBi Te\n4 2\ndirect\n0.625000 0.375353 0.250354 Bi\n0.125000 0.374646 0.749647 Bi\n0.624646 0.874999 0.249647 Bi\n0.625354 0.375000 0.750355 Bi\n0.250000 0.750000 0.500001 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
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"elements": [
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"volume": 215.86228821168632,
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"formula_full": "Bi4 Te2",
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{
"id": "jvasp-5260",
"created_at": "2022-09-04T14:36:16.117003Z",
"updated_at": "2022-09-04T14:36:16.117023Z",
"structure_string": "Bi4 Te2 I2\n1.0\n-4.436076 0.014849 0.252609\n2.208633 3.821718 -0.513482\n1.182046 -0.563012 -18.262738\nBi Te I\n4 2 2\ndirect\n0.558535 0.442444 0.674913 Bi\n0.441466 0.557558 0.325087 Bi\n0.317762 0.682138 0.953356 Bi\n0.682240 0.317864 0.046644 Bi\n0.806141 0.193251 0.418884 Te\n0.193861 0.806751 0.581116 Te\n0.069473 0.929401 0.209397 I\n0.930528 0.070601 0.790603 I\n",
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{
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"created_at": "2022-09-04T14:37:09.172279Z",
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"structure_string": "Bi4 Te2 O12\n1.0\n5.463612 -0.000000 0.000000\n0.000000 5.182377 -1.660646\n-0.000000 -0.046874 8.770365\nBi Te O\n4 2 12\ndirect\n0.491549 0.827603 0.655206 Bi\n0.508450 0.172398 0.344795 Bi\n0.008450 0.327603 0.655206 Bi\n0.991549 0.672398 0.344795 Bi\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 -0.000000 Te\n0.750000 0.718690 0.937377 O\n0.250000 0.781312 0.062623 O\n0.750000 0.499866 0.499731 O\n0.418912 0.389625 0.779250 O\n0.750000 0.999866 0.499731 O\n0.750000 0.218690 0.937377 O\n0.250000 0.281311 0.062623 O\n0.081088 0.889625 0.779250 O\n0.581088 0.610376 0.220750 O\n0.918911 0.110376 0.220750 O\n0.250000 0.500135 0.500270 O\n0.250000 0.000135 0.500270 O\n",
"nsites": 18,
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"elements": [
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"formula_full": "Bi4 Te2 O12",
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{
"id": "jvasp-18487",
"created_at": "2022-09-04T14:36:57.149150Z",
"updated_at": "2022-09-04T14:36:57.149175Z",
"structure_string": "Bi4 Te3\n1.0\n4.465191 0.007913 13.755545\n2.183262 3.895043 13.755545\n0.013480 0.007913 14.462114\nBi Te\n4 3\ndirect\n0.286168 0.286167 0.286168 Bi\n0.713833 0.713830 0.713833 Bi\n0.147082 0.147082 0.147082 Bi\n0.852919 0.852916 0.852919 Bi\n0.000000 0.000000 0.000000 Te\n0.579288 0.579286 0.579288 Te\n0.420713 0.420712 0.420713 Te\n",
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{
"id": "jvasp-101230",
"created_at": "2022-09-04T14:36:40.642886Z",
"updated_at": "2022-09-04T14:36:40.642909Z",
"structure_string": "Bi4 Te3 S3\n1.0\n4.177336 -0.022054 19.500154\n2.046494 3.641770 19.500154\n-0.037920 -0.022054 19.942535\nBi Te S\n4 3 3\ndirect\n0.800927 0.800929 0.800927 Bi\n0.307248 0.307249 0.307248 Bi\n0.700538 0.700540 0.700538 Bi\n0.194000 0.194000 0.194000 Bi\n0.891614 0.891617 0.891614 Te\n0.103679 0.103679 0.103679 Te\n0.609751 0.609753 0.609751 Te\n0.004088 0.004088 0.004088 S\n0.498000 0.498002 0.498001 S\n0.390151 0.390152 0.390151 S\n",
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{
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"created_at": "2022-09-04T14:37:56.848001Z",
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"structure_string": "Bi4 Te4 I4 O12\n1.0\n7.100558 0.000000 0.000000\n0.000000 7.809202 -2.012399\n0.000000 0.032756 9.144858\nBi Te I O\n4 4 4 12\ndirect\n0.133426 0.672709 0.405855 Bi\n0.866574 0.327291 0.594146 Bi\n0.633426 0.827291 0.594145 Bi\n0.366574 0.172710 0.405855 Bi\n0.820261 0.993294 0.261175 Te\n0.179739 0.006706 0.738825 Te\n0.679739 0.493295 0.261175 Te\n0.320261 0.506706 0.738825 Te\n0.659710 0.145802 0.869862 I\n0.840291 0.645802 0.869862 I\n0.340290 0.854198 0.130138 I\n0.159710 0.354198 0.130138 I\n0.879710 0.770782 0.287116 O\n0.506705 0.375001 0.611034 O\n0.651691 0.031341 0.434773 O\n0.151690 0.468660 0.565227 O\n0.120290 0.229218 0.712885 O\n0.006705 0.124999 0.388967 O\n0.348310 0.968659 0.565227 O\n0.993296 0.875001 0.611034 O\n0.620290 0.270782 0.287116 O\n0.848310 0.531341 0.434773 O\n0.493296 0.624999 0.388966 O\n0.379710 0.729218 0.712884 O\n",
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{
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"created_at": "2022-09-04T14:38:39.505828Z",
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"structure_string": "Bi4 Te4 Ir4\n1.0\n6.628650 0.000000 0.000000\n0.000000 6.628650 0.000000\n-0.000000 0.000000 6.628650\nBi Te Ir\n4 4 4\ndirect\n0.131659 0.868341 0.368341 Bi\n0.868341 0.368341 0.131659 Bi\n0.368341 0.131659 0.868341 Bi\n0.631659 0.631659 0.631659 Bi\n0.874084 0.125916 0.625916 Te\n0.125916 0.625916 0.874084 Te\n0.625916 0.874084 0.125916 Te\n0.374084 0.374084 0.374084 Te\n0.493599 0.506401 0.006401 Ir\n0.506401 0.006401 0.493599 Ir\n0.006401 0.493599 0.506401 Ir\n0.993599 0.993599 0.993599 Ir\n",
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{
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"structure_string": "Bi4 Te4 O16\n1.0\n-0.000000 5.618429 -0.000000\n-6.457985 2.809214 0.037824\n2.099570 -2.809214 9.410169\nBi Te O\n4 4 16\ndirect\n0.229632 0.610818 0.155295 Bi\n0.042493 0.744670 0.744825 Bi\n0.957662 0.244669 0.244826 Bi\n0.314846 0.110818 0.655295 Bi\n0.652775 0.923483 0.384138 Te\n0.492539 0.505232 0.503642 Te\n0.807879 0.423483 0.884138 Te\n0.505871 0.005232 0.003642 Te\n0.353942 0.001996 0.154129 O\n0.702175 0.203849 0.415491 O\n0.347449 0.418217 0.620197 O\n0.083303 0.531208 0.903262 O\n0.519559 0.289299 0.085045 O\n0.798191 0.501997 0.654129 O\n0.200616 0.494671 0.343761 O\n0.276185 0.789300 0.585045 O\n0.911461 0.460029 0.091252 O\n0.636166 0.588970 0.380564 O\n0.288752 0.031207 0.403262 O\n0.648472 0.994672 0.843761 O\n0.719761 0.960029 0.591252 O\n0.854530 0.918218 0.120196 O\n0.509467 0.703850 0.915491 O\n0.155429 0.088970 0.880564 O\n",
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{
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"created_at": "2022-09-04T14:36:53.253249Z",
"updated_at": "2022-09-04T14:36:53.253276Z",
"structure_string": "Bi4 Te4 Pd4\n1.0\n6.770177 0.000000 0.000000\n0.000000 6.770177 0.000000\n-0.000000 0.000000 6.770177\nBi Te Pd\n4 4 4\ndirect\n0.368491 0.368491 0.368491 Bi\n0.131509 0.631509 0.868491 Bi\n0.868491 0.131509 0.631509 Bi\n0.631509 0.868491 0.131509 Bi\n0.626061 0.626061 0.626061 Te\n0.873940 0.373940 0.126061 Te\n0.126061 0.873940 0.373940 Te\n0.373940 0.126061 0.873940 Te\n0.004071 0.004071 0.004071 Pd\n0.495929 0.995929 0.504072 Pd\n0.504072 0.495929 0.995929 Pd\n0.995929 0.504072 0.495929 Pd\n",
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"density": 9.482287917440537,
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"volume": 310.3130709061976,
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]
}