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{
"id": "jvasp-13990",
"created_at": "2022-09-04T14:36:04.566853Z",
"updated_at": "2022-09-04T14:36:04.566867Z",
"structure_string": "Ta2 Te10 Pt2\n1.0\n3.782283 0.000000 0.000000\n-1.891142 6.802384 -0.000000\n0.000000 0.000000 15.687891\nTa Te Pt\n2 10 2\ndirect\n0.489007 0.978013 0.750000 Ta\n0.510992 0.021987 0.250000 Ta\n0.831653 0.663308 0.750000 Te\n0.168346 0.336691 0.250000 Te\n0.609490 0.218981 0.080384 Te\n0.390509 0.781018 0.919616 Te\n0.100391 0.200783 0.851399 Te\n0.899608 0.799217 0.148601 Te\n0.899608 0.799217 0.351399 Te\n0.100391 0.200783 0.648601 Te\n0.609490 0.218981 0.419616 Te\n0.390509 0.781018 0.580384 Te\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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{
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"updated_at": "2022-09-04T14:38:31.785201Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n0.000000 6.599807 0.018754\n11.386083 0.000000 0.000000\n0.000000 -2.261818 -9.668311\nTa Te Br\n2 2 18\ndirect\n0.636830 0.250000 0.136263 Ta\n0.363170 0.750000 0.863737 Ta\n0.758791 0.250000 0.540005 Te\n0.241209 0.750000 0.459996 Te\n0.965504 0.418761 0.676599 Br\n0.034496 0.918760 0.323401 Br\n0.243143 0.590105 0.990634 Br\n0.756857 0.090105 0.009367 Br\n0.756857 0.409895 0.009367 Br\n0.243143 0.909895 0.990634 Br\n0.001922 0.250000 0.314399 Br\n-0.001922 0.750000 0.685601 Br\n0.543507 0.750000 0.339272 Br\n0.965504 0.081239 0.676599 Br\n0.277071 0.250000 -0.000115 Br\n0.722929 0.750000 0.000115 Br\n0.466454 0.905666 0.693591 Br\n0.533546 0.405666 0.306410 Br\n0.533546 0.094334 0.306410 Br\n0.466454 0.594334 0.693591 Br\n0.456494 0.250000 0.660728 Br\n0.034496 0.581239 0.323401 Br\n",
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"formula_full": "Ta2 Te2 Br18",
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{
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"created_at": "2022-09-04T14:36:11.335600Z",
"updated_at": "2022-09-04T14:36:11.335617Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n6.599774 -0.034666 0.000000\n-2.238506 9.673726 0.000000\n0.000000 0.000000 11.386106\nTa Te Br\n2 2 18\ndirect\n0.636832 0.136265 0.750000 Ta\n0.363166 0.863735 0.250000 Ta\n0.758792 0.540005 0.750000 Te\n0.241207 0.459995 0.250000 Te\n0.965503 0.676600 0.581239 Br\n0.034496 0.323400 0.081239 Br\n0.034496 0.323400 0.418761 Br\n0.965503 0.676600 0.918761 Br\n0.756858 0.009367 0.590106 Br\n0.243141 0.990633 0.090106 Br\n0.243141 0.990633 0.409894 Br\n0.533548 0.306411 0.594335 Br\n0.001924 0.314402 0.750000 Br\n0.543501 0.339269 0.250000 Br\n0.456497 0.660731 0.750000 Br\n0.722922 0.000114 0.250000 Br\n0.277077 -0.000115 0.750000 Br\n0.533548 0.306411 0.905666 Br\n0.466451 0.693589 0.405665 Br\n0.466451 0.693589 0.094335 Br\n-0.001924 0.685599 0.250000 Br\n0.756858 0.009367 0.909895 Br\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.03030070957330785,
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"formula_full": "Ta2 Te2 Br18",
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"spacegroup": 11
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{
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"created_at": "2022-09-04T14:37:50.700579Z",
"updated_at": "2022-09-04T14:37:50.700595Z",
"structure_string": "Ta2 Te2 Cl18\n1.0\n6.069694 -0.000347 1.759662\n-0.620141 8.873640 2.563425\n-0.008578 0.106373 11.175673\nTa Te Cl\n2 2 18\ndirect\n0.416411 0.742786 0.703720 Ta\n0.583588 0.257213 0.296280 Ta\n0.131716 0.677911 0.168068 Te\n0.868283 0.322088 0.831932 Te\n0.099872 0.359775 0.619156 Cl\n0.900127 0.640225 0.380844 Cl\n0.120948 0.194528 0.937518 Cl\n0.879051 0.805471 0.062481 Cl\n0.231413 0.145238 0.391816 Cl\n0.768586 0.854762 0.608184 Cl\n0.515996 0.302691 0.083561 Cl\n0.484003 0.697309 0.916439 Cl\n0.052518 0.607659 0.829694 Cl\n0.313927 0.901854 0.165467 Cl\n0.745986 0.037899 0.277944 Cl\n0.254013 0.962101 0.722056 Cl\n0.452098 0.508339 0.294477 Cl\n0.547902 0.491660 0.705522 Cl\n0.659944 0.246000 0.488189 Cl\n0.340056 0.753999 0.511810 Cl\n0.947481 0.392341 0.170305 Cl\n0.686072 0.098146 0.834532 Cl\n",
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"formula_full": "Ta2 Te2 Cl18",
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"spacegroup": 2
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{
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"created_at": "2022-09-04T14:38:16.127562Z",
"updated_at": "2022-09-04T14:38:16.127588Z",
"structure_string": "Ta2 Te2 N2\n1.0\n3.575849 -0.000000 0.000000\n0.000000 3.575849 0.000000\n0.000000 -0.000000 9.021808\nTa Te N\n2 2 2\ndirect\n0.500000 0.000000 0.121112 Ta\n-0.000000 0.500000 0.878888 Ta\n0.500000 0.000000 0.682530 Te\n-0.000000 0.500000 0.317471 Te\n0.500000 0.500000 -0.000000 N\n0.000000 0.000000 0.000000 N\n",
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"density": 9.286036432495923,
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"formula_full": "Ta2 Te2 N2",
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"spacegroup": 129
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{
"id": "jvasp-31871",
"created_at": "2022-09-04T14:37:32.133540Z",
"updated_at": "2022-09-04T14:37:32.133564Z",
"structure_string": "Ta2 Te4 Br10 O1\n1.0\n6.922785 0.020359 0.439596\n2.329350 8.389399 1.236490\n-0.007549 -0.011804 9.216561\nTa Te Br O\n2 4 10 1\ndirect\n0.508891 0.643762 0.633634 Ta\n0.491109 0.356239 0.366366 Ta\n0.921451 0.805136 0.004808 Te\n0.820882 0.098142 0.837726 Te\n0.078550 0.194864 0.995192 Te\n0.179118 0.901859 0.162274 Te\n0.159841 0.805387 0.574362 Br\n0.374549 0.475403 0.840201 Br\n0.840160 0.194613 0.425639 Br\n0.866246 0.478818 0.710010 Br\n0.625451 0.524598 0.159799 Br\n0.479825 0.157094 0.178798 Br\n0.520175 0.842907 0.821203 Br\n0.336143 0.196668 0.559368 Br\n0.663857 0.803333 0.440632 Br\n0.133754 0.521183 0.289990 Br\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"density_atomic": 0.03177813586390443,
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"formula_full": "Ta2 Te4 Br10 O1",
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{
"id": "jvasp-5662",
"created_at": "2022-09-04T14:38:06.210354Z",
"updated_at": "2022-09-04T14:38:06.210380Z",
"structure_string": "Ta2 Te4 Br12\n1.0\n6.768955 -0.426230 -0.173109\n0.979436 6.993244 -0.190259\n2.066727 1.031821 12.315749\nTa Te Br\n2 4 12\ndirect\n0.793339 0.323670 0.818488 Ta\n0.206663 0.676330 0.181512 Ta\n0.252838 0.157234 0.528085 Te\n0.747164 0.842766 0.471915 Te\n0.426547 0.845216 0.631152 Te\n0.573454 0.154783 0.368848 Te\n0.484457 0.149088 0.863452 Br\n0.515545 0.850912 0.136548 Br\n0.698275 0.405986 0.620392 Br\n0.301727 0.594014 0.379608 Br\n0.883815 0.525099 0.253323 Br\n0.960245 0.005649 0.743538 Br\n0.039757 0.994350 0.256462 Br\n0.377726 0.369062 0.130439 Br\n0.094059 0.753970 0.004593 Br\n0.905943 0.246029 0.995407 Br\n0.116187 0.474900 0.746677 Br\n0.622276 0.630938 0.869561 Br\n",
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{
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"created_at": "2022-09-04T14:35:43.291588Z",
"updated_at": "2022-09-04T14:35:43.291613Z",
"structure_string": "Ta2 Te4 Cl12\n1.0\n6.394025 -0.339369 -0.007162\n0.375942 7.518115 0.034682\n2.479977 1.839392 10.652916\nTa Te Cl\n2 4 12\ndirect\n0.786231 0.328994 0.810463 Ta\n0.213770 0.671005 0.189537 Ta\n0.257436 0.153860 0.494545 Te\n0.742565 0.846139 0.505456 Te\n0.380501 0.903803 0.674221 Te\n0.619500 0.096196 0.325780 Te\n0.446998 0.188744 0.893394 Cl\n0.553003 0.811255 0.106607 Cl\n0.720130 0.366860 0.602478 Cl\n0.279871 0.633139 0.397522 Cl\n0.864210 0.542377 0.281195 Cl\n0.920865 0.036059 0.780772 Cl\n0.079135 0.963940 0.219229 Cl\n0.343728 0.380437 0.173061 Cl\n0.131689 0.711492 -0.008117 Cl\n0.868311 0.288507 0.008117 Cl\n0.135791 0.457622 0.718805 Cl\n0.656273 0.619561 0.826939 Cl\n",
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{
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{
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"created_at": "2022-09-04T14:37:30.047077Z",
"updated_at": "2022-09-04T14:37:30.047106Z",
"structure_string": "Ta2 Ti1 N3\n1.0\n2.633810 -4.561894 0.000000\n2.633810 4.561894 -0.000000\n-0.000000 -0.000000 2.930727\nTa Ti N\n2 1 3\ndirect\n0.666667 0.333333 0.500001 Ta\n0.333333 0.666667 0.500001 Ta\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:36:57.174379Z",
"updated_at": "2022-09-04T14:36:57.174391Z",
"structure_string": "Ta2 Ti1 W1\n1.0\n3.979634 -0.000000 2.297643\n1.326545 3.752035 2.297643\n-0.000000 -0.000000 4.595285\nTa Ti W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.749999 0.749999 0.750001 Ta\n0.499999 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 W\n",
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]
}