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{
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"structure_string": "Te2 H4 O8\n1.0\n5.237916 0.000000 -2.500352\n0.000000 4.922497 0.000000\n0.212132 0.000000 5.272531\nTe H O\n2 4 8\ndirect\n0.998506 0.500566 0.523362 Te\n0.998506 0.999435 0.023362 Te\n0.388988 0.297735 0.515953 H\n0.604894 0.761900 0.742103 H\n0.604894 0.738101 0.242104 H\n0.388988 0.202265 0.015954 H\n0.338696 0.357892 0.667404 O\n0.661820 0.857014 0.923032 O\n0.661820 0.642986 0.423032 O\n0.338696 0.142108 0.167404 O\n0.880468 0.188339 0.670839 O\n0.114704 0.683367 0.879567 O\n0.114704 0.816634 0.379567 O\n0.880468 0.311662 0.170839 O\n",
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{
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"structure_string": "Te2 H4 O8\n1.0\n5.284627 0.000000 -2.689460\n0.000000 4.914617 0.000000\n0.016334 0.000000 5.279042\nTe H O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.398089 0.259016 0.806912 H\n0.601910 0.759017 0.693087 H\n0.601911 0.740984 0.193087 H\n0.398089 0.240984 0.306912 H\n0.341284 0.362290 0.626205 O\n0.658715 0.862290 0.873794 O\n0.658716 0.637711 0.373795 O\n0.341284 0.137710 0.126205 O\n0.883606 0.182805 0.634526 O\n0.116393 0.682806 0.865473 O\n0.116393 0.817195 0.365473 O\n0.883607 0.317195 0.134527 O\n",
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{
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"updated_at": "2022-09-04T14:36:06.748220Z",
"structure_string": "Te4 H20 O24\n1.0\n4.540672 0.000000 -4.284918\n0.000000 8.970155 0.000000\n0.269635 0.000000 11.120395\nTe H O\n4 20 24\ndirect\n0.499999 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 -0.000000 Te\n-0.000001 0.000000 0.500000 Te\n0.425002 0.167874 0.704295 H\n0.074997 0.667874 0.795705 H\n0.574997 0.832125 0.295705 H\n0.939874 0.053588 0.258215 H\n0.439874 0.446411 0.758215 H\n0.060124 0.946411 0.741785 H\n0.560125 0.553588 0.241785 H\n0.463468 0.118700 0.107510 H\n0.963467 0.381299 0.607510 H\n0.925002 0.332125 0.204295 H\n0.036532 0.618700 0.392490 H\n0.354331 0.088881 0.296350 H\n0.854330 0.411118 0.796350 H\n0.645667 0.911118 0.703650 H\n0.145668 0.588881 0.203650 H\n0.227112 0.278674 0.467521 H\n0.727111 0.221326 0.967521 H\n0.772886 0.721326 0.532479 H\n0.272887 0.778674 0.032479 H\n0.536531 0.881299 0.892490 H\n0.304084 0.901439 0.522545 O\n0.195914 0.401440 0.977455 O\n0.695914 0.098560 0.477455 O\n0.186687 0.930051 0.717314 O\n0.756769 0.822593 0.414127 O\n0.813312 0.069948 0.282686 O\n0.313311 0.430051 0.782686 O\n0.804084 0.598560 0.022544 O\n0.256768 0.677406 0.914127 O\n0.686687 0.569948 0.217313 O\n0.760442 0.372128 0.500875 O\n0.639860 0.424524 0.705633 O\n0.239556 0.627871 0.499125 O\n0.739556 0.872128 0.999124 O\n0.139861 0.075476 0.205633 O\n0.860138 0.924524 0.794367 O\n0.360139 0.575476 0.294367 O\n0.709988 0.154541 0.887441 O\n0.209989 0.345458 0.387441 O\n0.290010 0.845458 0.112559 O\n0.790010 0.654541 0.612559 O\n0.243230 0.177406 0.585873 O\n0.260443 0.127871 0.000875 O\n0.743230 0.322593 0.085872 O\n",
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{
"id": "jvasp-18985",
"created_at": "2022-09-04T14:37:02.214431Z",
"updated_at": "2022-09-04T14:37:02.214449Z",
"structure_string": "Te4 F24\n1.0\n4.991724 0.000000 0.000000\n-0.000000 8.606093 0.000000\n0.000000 0.000000 9.475502\nTe F\n4 24\ndirect\n0.591866 0.750000 0.626962 Te\n0.091866 0.250000 0.873037 Te\n0.408133 0.250000 0.373037 Te\n0.908133 0.750000 0.126963 Te\n0.565918 0.097035 0.261200 F\n0.065919 0.902965 0.238800 F\n0.248778 0.403319 0.484152 F\n0.748778 0.596681 0.015847 F\n0.751221 0.903319 0.515847 F\n0.251222 0.096681 0.984152 F\n0.751221 0.596681 0.515847 F\n0.251222 0.403319 0.984152 F\n0.248778 0.096681 0.484152 F\n0.748778 0.903319 0.015847 F\n0.891954 0.750000 0.744600 F\n0.108045 0.250000 0.255400 F\n0.934080 0.402965 0.761200 F\n0.608045 0.750000 0.244600 F\n0.293283 0.750000 0.508542 F\n0.793283 0.250000 0.991458 F\n0.706716 0.250000 0.491458 F\n0.206717 0.750000 0.008542 F\n0.934080 0.097035 0.761200 F\n0.434081 0.902965 0.738800 F\n0.065919 0.597035 0.238800 F\n0.565918 0.402965 0.261200 F\n0.391954 0.250000 0.755400 F\n0.434081 0.597035 0.738800 F\n",
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"formula_full": "Te4 F24",
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{
"id": "jvasp-8339",
"created_at": "2022-09-04T14:36:49.619213Z",
"updated_at": "2022-09-04T14:36:49.619239Z",
"structure_string": "Te1 F6\n1.0\n4.538386 0.088768 3.045329\n1.669981 4.220900 3.045329\n0.127877 0.088768 5.463940\nTe F\n1 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.377762 0.082723 0.772444 F\n0.082723 0.772445 0.377762 F\n0.227556 0.622239 0.917277 F\n0.917278 0.227557 0.622238 F\n0.622239 0.917278 0.227555 F\n0.772445 0.377762 0.082722 F\n",
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{
"id": "jvasp-106389",
"created_at": "2022-09-04T14:38:15.891450Z",
"updated_at": "2022-09-04T14:38:15.891482Z",
"structure_string": "Te1 F6\n1.0\n4.542288 0.094992 3.040332\n1.672715 4.224149 3.040331\n0.136688 0.094992 5.464185\nTe F\n1 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.082438 0.377967 0.772463 F\n0.772463 0.082437 0.377968 F\n0.622033 0.227537 0.917563 F\n0.227537 0.917562 0.622033 F\n0.917562 0.622032 0.227538 F\n0.377967 0.772462 0.082438 F\n",
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{
"id": "jvasp-22626",
"created_at": "2022-09-04T14:35:42.714053Z",
"updated_at": "2022-09-04T14:35:42.714073Z",
"structure_string": "Te4 F16\n1.0\n5.297738 0.000000 0.000000\n0.000000 6.059494 0.000000\n0.000000 0.000000 9.534491\nTe F\n4 16\ndirect\n0.153569 0.996074 0.619220 Te\n0.346431 0.003926 0.119220 Te\n0.653569 0.503925 0.380780 Te\n0.846432 0.496074 0.880780 Te\n0.789583 0.781096 0.447771 F\n0.588676 0.202047 0.250476 F\n0.289582 0.718903 0.552228 F\n0.945603 0.358536 0.462937 F\n0.866680 0.547703 0.224420 F\n0.088676 0.297953 0.749524 F\n0.445603 0.141464 0.537063 F\n0.366680 0.952296 0.775579 F\n0.911324 0.797953 0.750476 F\n0.133320 0.047703 0.275579 F\n0.411324 0.702046 0.249524 F\n0.554397 0.641463 0.962937 F\n0.054397 0.858536 0.037063 F\n0.710418 0.218903 0.947771 F\n0.633321 0.452296 0.724420 F\n0.210418 0.281096 0.052228 F\n",
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{
"id": "jvasp-98791",
"created_at": "2022-09-04T14:36:07.735863Z",
"updated_at": "2022-09-04T14:36:07.735879Z",
"structure_string": "Te2 C8 Cl4 F12\n1.0\n6.912290 0.032679 -1.330658\n-1.038431 6.833922 -1.330658\n0.041449 0.048454 8.952861\nTe C Cl F\n2 8 4 12\ndirect\n0.428496 0.571504 0.750000 Te\n0.571504 0.428496 0.250000 Te\n0.571088 0.977752 0.702581 C\n0.153764 0.586662 0.817205 C\n0.413337 0.846236 0.682794 C\n0.977753 0.571088 0.202581 C\n0.428912 0.022247 0.297419 C\n0.846237 0.413337 0.182794 C\n0.022247 0.428911 0.797419 C\n0.586663 0.153763 0.317205 C\n0.241069 0.416413 0.475820 Cl\n0.758931 0.583586 0.524179 Cl\n0.583587 0.758931 0.024179 Cl\n0.416413 0.241068 0.975820 Cl\n0.144362 0.567573 0.151672 F\n0.748594 0.959234 0.773936 F\n0.251406 0.040765 0.226063 F\n0.040766 0.251406 0.726063 F\n0.959235 0.748594 0.273937 F\n0.880051 0.237725 0.109360 F\n0.432427 0.855638 0.348328 F\n0.567573 0.144361 0.651671 F\n0.237725 0.880051 0.609360 F\n0.762275 0.119949 0.390639 F\n0.855639 0.432426 0.848328 F\n0.119949 0.762274 0.890639 F\n",
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{
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"updated_at": "2022-09-04T14:35:56.693622Z",
"structure_string": "Te1 Br6 N2\n1.0\n-5.133272 -5.133272 0.000000\n-5.133272 0.000000 -5.133272\n-0.000000 -5.133272 -5.133272\nTe Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.743461 0.256539 0.256539 Br\n0.743461 0.256539 0.743461 Br\n0.743461 0.743461 0.256539 Br\n0.256539 0.743461 0.743461 Br\n0.256539 0.743461 0.256539 Br\n0.256539 0.256539 0.743461 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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],
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"density": 3.8979438061906784,
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"volume": 270.5283769810474,
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"formula_full": "Te1 Br6 N2",
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{
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"updated_at": "2022-09-04T14:35:54.564021Z",
"structure_string": "Te2 Br4\n1.0\n7.979926 0.000000 0.000000\n0.000000 7.979926 0.000000\n0.000000 0.000000 3.890955\nTe Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500001 Te\n0.319747 0.319747 0.000000 Br\n0.680252 0.680252 0.000000 Br\n0.819747 0.180252 0.500001 Br\n0.180252 0.819747 0.500001 Br\n",
"nsites": 6,
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"volume": 247.77297542981364,
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"formula_full": "Te2 Br4",
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"spacegroup": 136
},
{
"id": "jvasp-33839",
"created_at": "2022-09-04T14:38:05.411515Z",
"updated_at": "2022-09-04T14:38:05.411545Z",
"structure_string": "Te2 Br4\n1.0\n7.979906 0.000000 0.000000\n0.000000 7.979906 0.000000\n0.000000 0.000000 3.890946\nTe Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500003 Te\n0.319746 0.319746 0.000000 Br\n0.680253 0.680253 0.000000 Br\n0.819746 0.180253 0.500003 Br\n0.180253 0.819746 0.500003 Br\n",
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"volume": 247.77116033995335,
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"formula_full": "Te2 Br4",
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"spacegroup": 136
},
{
"id": "jvasp-61272",
"created_at": "2022-09-04T14:36:02.204462Z",
"updated_at": "2022-09-04T14:36:02.204487Z",
"structure_string": "Te4 Au4 I4\n1.0\n0.000000 7.411260 -0.195766\n7.735952 0.000000 0.000000\n0.000000 -2.140331 -6.923136\nTe Au I\n4 4 4\ndirect\n-0.014410 0.862192 0.681301 Te\n0.514411 0.362192 0.318699 Te\n0.014411 0.137807 0.318699 Te\n0.485590 0.637807 0.681302 Te\n0.230297 0.863829 0.468441 Au\n0.269704 0.363829 0.531560 Au\n0.769704 0.136171 0.531560 Au\n0.730297 0.636171 0.468441 Au\n0.389403 0.910760 0.174367 I\n0.110598 0.410760 0.825634 I\n0.610598 0.089240 0.825634 I\n0.889403 0.589240 0.174367 I\n",
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"density": 7.49373181705995,
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"volume": 400.1666011005553,
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"formula_full": "Te4 Au4 I4",
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}
]
}