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{
"id": "jvasp-120435",
"created_at": "2022-09-04T14:38:52.052426Z",
"updated_at": "2022-09-04T14:38:52.052444Z",
"structure_string": "Y6 Mn2 Au10\n1.0\n7.136131 -0.008472 3.145037\n2.047575 6.836072 3.145037\n-0.011396 -0.008472 7.798429\nY Mn Au\n6 2 10\ndirect\n0.891704 0.191351 0.620761 Y\n0.620760 0.891704 0.191352 Y\n0.191350 0.620761 0.891705 Y\n0.108295 0.808649 0.379240 Y\n0.379239 0.108296 0.808650 Y\n0.808649 0.379240 0.108296 Y\n0.654119 0.654120 0.654121 Mn\n0.345880 0.345880 0.345881 Mn\n0.060985 0.446436 0.682862 Au\n0.553563 0.317139 0.939015 Au\n0.317138 0.939014 0.553565 Au\n0.939013 0.553565 0.317140 Au\n0.000000 0.000000 0.000000 Au\n0.801750 0.801751 0.801752 Au\n0.499999 0.500000 0.500001 Au\n0.682861 0.060986 0.446436 Au\n0.198248 0.198249 0.198249 Au\n0.446435 0.682861 0.060987 Au\n",
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"structure_string": "Hf6 Co16 Ge7\n1.0\n7.046334 -0.000000 4.068203\n2.348778 6.643347 4.068203\n0.000000 0.000000 8.136406\nHf Co Ge\n6 16 7\ndirect\n0.796310 0.796311 0.203689 Hf\n0.796310 0.203690 0.796311 Hf\n0.203689 0.203690 0.796311 Hf\n0.203689 0.796311 0.203689 Hf\n0.203689 0.796311 0.796310 Hf\n0.796310 0.203690 0.203689 Hf\n0.506679 0.831107 0.831107 Co\n0.139236 0.620255 0.620255 Co\n0.831107 0.831107 0.831107 Co\n0.379745 0.379745 0.379745 Co\n0.860763 0.379745 0.379745 Co\n0.620255 0.620255 0.620255 Co\n0.379745 0.860764 0.379745 Co\n0.168893 0.168893 0.168893 Co\n0.168893 0.493321 0.168893 Co\n0.831107 0.506679 0.831107 Co\n0.168893 0.168893 0.493321 Co\n0.831107 0.831107 0.506679 Co\n0.379745 0.379745 0.860764 Co\n0.493321 0.168893 0.168893 Co\n0.620255 0.139236 0.620255 Co\n0.620255 0.620255 0.139236 Co\n0.500000 0.500000 -0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 -0.000000 Ge\n0.500000 0.000000 -0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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{
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"created_at": "2022-09-04T14:38:44.175152Z",
"updated_at": "2022-09-04T14:38:44.175169Z",
"structure_string": "Sr2 Ga4 Se8\n1.0\n6.316442 0.032003 0.000000\n-3.164240 5.466813 0.000000\n0.000000 0.000000 10.996780\nSr Ga Se\n2 4 8\ndirect\n0.500000 0.499999 0.750000 Sr\n0.500000 0.499999 0.250000 Sr\n0.763404 0.239568 0.500000 Ga\n0.236595 0.760431 0.500000 Ga\n0.760431 0.236595 -0.000000 Ga\n0.239568 0.763404 -0.000000 Ga\n0.346366 0.187712 0.500000 Se\n0.653633 0.812287 0.500000 Se\n0.812287 0.653633 -0.000000 Se\n0.187712 0.346366 -0.000000 Se\n0.500000 -0.000000 0.828936 Se\n-0.000000 0.500000 0.671064 Se\n0.500000 -0.000000 0.171064 Se\n-0.000000 0.500000 0.328936 Se\n",
"nsites": 14,
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"volume": 380.84128125955914,
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{
"id": "jvasp-9784",
"created_at": "2022-09-04T14:37:12.190794Z",
"updated_at": "2022-09-04T14:37:12.190811Z",
"structure_string": "Cd4 Ga2 Ag2 S8\n1.0\n6.679733 0.000000 0.000000\n0.000000 6.961780 0.000000\n0.000000 0.000000 8.189083\nCd Ga Ag S\n4 2 2 8\ndirect\n0.486435 0.175441 0.252610 Cd\n0.986434 0.824559 0.752609 Cd\n0.486435 0.175441 0.747390 Cd\n0.986434 0.824559 0.247390 Cd\n0.491122 0.676937 0.500000 Ga\n0.991122 0.323063 0.000000 Ga\n0.989857 0.341004 0.500000 Ag\n0.489858 0.658996 0.000000 Ag\n0.107936 0.634532 0.000000 S\n0.607936 0.365468 0.500000 S\n0.146462 0.677704 0.500000 S\n0.646461 0.322296 0.000000 S\n0.603756 0.824708 0.265588 S\n0.103757 0.175292 0.765588 S\n0.103757 0.175292 0.234411 S\n0.603756 0.824708 0.734411 S\n",
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{
"id": "jvasp-52093",
"created_at": "2022-09-04T14:38:10.336742Z",
"updated_at": "2022-09-04T14:38:10.336760Z",
"structure_string": "Tb6 Br7\n1.0\n3.693938 -0.000000 0.676528\n1.164653 9.735233 4.063801\n-0.042924 0.193167 10.657349\nTb Br\n6 7\ndirect\n0.128087 0.299780 0.444047 Tb\n0.871914 0.700220 0.555953 Tb\n0.319408 0.002073 0.359114 Tb\n0.680594 -0.002073 0.640887 Tb\n0.774363 0.300463 0.150812 Tb\n0.225638 0.699537 0.849188 Tb\n0.500000 0.500000 0.500000 Br\n0.048244 0.169793 0.733720 Br\n0.951757 0.830207 0.266280 Br\n0.163297 0.515325 0.158082 Br\n0.836704 0.484675 0.841918 Br\n0.397660 0.152450 0.052228 Br\n0.602340 0.847550 0.947772 Br\n",
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"volume": 380.7878184948773,
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"spacegroup": 12
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{
"id": "jvasp-28846",
"created_at": "2022-09-04T14:37:01.066775Z",
"updated_at": "2022-09-04T14:37:01.066800Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.387679 0.000001 0.000000\n-1.693839 2.933795 -0.000011\n-0.000003 -0.000148 38.313212\nTe Mo W Se\n2 2 2 6\ndirect\n0.666641 0.333282 0.420479 Te\n0.666648 0.333294 0.518816 Te\n0.333314 0.666628 0.469660 Mo\n0.666683 0.333364 0.281743 Mo\n0.333311 0.666620 0.093939 W\n0.666692 0.333382 0.657558 W\n0.333354 0.666708 0.324978 Se\n0.333368 0.666734 0.700771 Se\n0.666639 0.333278 0.050720 Se\n0.666643 0.333285 0.137357 Se\n0.333349 0.666698 0.238574 Se\n0.333357 0.666714 0.614155 Se\n",
"nsites": 12,
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"volume": 380.7857194934934,
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"spacegroup": 156
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{
"id": "jvasp-34153",
"created_at": "2022-09-04T14:37:20.129604Z",
"updated_at": "2022-09-04T14:37:20.129624Z",
"structure_string": "Tb6 Br7\n1.0\n3.693849 -0.000000 0.676512\n1.164623 9.735090 4.063714\n-0.042966 0.193085 10.657321\nTb Br\n6 7\ndirect\n0.128085 0.299782 0.444046 Tb\n0.871913 0.700217 0.555954 Tb\n0.319407 0.002075 0.359112 Tb\n0.680592 -0.002075 0.640888 Tb\n0.774362 0.300459 0.150816 Tb\n0.225636 0.699541 0.849183 Tb\n0.499999 0.500000 0.500000 Br\n0.048249 0.169783 0.733718 Br\n0.951750 0.830216 0.266282 Br\n0.163300 0.515318 0.158083 Br\n0.836699 0.484682 0.841917 Br\n0.397660 0.152451 0.052228 Br\n0.602339 0.847549 0.947771 Br\n",
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"volume": 380.77350474477123,
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"formula_full": "Tb6 Br7",
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"spacegroup": 12
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{
"id": "jvasp-106193",
"created_at": "2022-09-04T14:35:49.589424Z",
"updated_at": "2022-09-04T14:35:49.589434Z",
"structure_string": "Tb2 I6\n1.0\n10.478565 -0.000000 0.000000\n-5.239282 9.074704 0.000000\n-0.000000 0.000000 4.004145\nTb I\n2 6\ndirect\n0.333333 0.666667 0.750001 Tb\n0.666667 0.333333 0.250000 Tb\n0.205958 0.411915 0.250000 I\n0.588084 0.794042 0.250000 I\n0.205958 0.794042 0.250000 I\n0.794042 0.588084 0.750001 I\n0.411915 0.205958 0.750001 I\n0.794042 0.205958 0.750001 I\n",
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"volume": 380.7536504138984,
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"formula_full": "Tb2 I6",
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{
"id": "jvasp-112300",
"created_at": "2022-09-04T14:38:26.140315Z",
"updated_at": "2022-09-04T14:38:26.140341Z",
"structure_string": "Lu10 Ga6\n1.0\n8.367044 0.000000 0.000000\n-4.183523 7.246072 0.000000\n-0.000000 -0.000000 6.279703\nLu Ga\n10 6\ndirect\n0.666666 0.333333 -0.000000 Lu\n0.333333 0.666666 -0.000000 Lu\n0.333333 0.666666 0.500000 Lu\n0.666666 0.333333 0.500000 Lu\n0.757507 0.757507 0.750000 Lu\n0.242492 -0.000000 0.750000 Lu\n0.000000 0.242492 0.750000 Lu\n0.242492 0.242492 0.250000 Lu\n0.757507 -0.000000 0.250000 Lu\n0.000000 0.757507 0.250000 Lu\n0.399834 0.399834 0.750000 Ga\n0.600165 -0.000000 0.750000 Ga\n0.000000 0.600166 0.750000 Ga\n0.600166 0.600166 0.250000 Ga\n0.399834 -0.000000 0.250000 Ga\n0.000000 0.399834 0.250000 Ga\n",
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"spacegroup": 193
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{
"id": "jvasp-106430",
"created_at": "2022-09-04T14:36:54.850228Z",
"updated_at": "2022-09-04T14:36:54.850247Z",
"structure_string": "K2 Al1 Au1 I6\n1.0\n7.045205 -0.000000 4.067551\n2.348402 6.642283 4.067551\n-0.000000 -0.000000 8.135102\nK Al Au I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.756350 0.243649 0.243650 I\n0.243649 0.243649 0.756350 I\n0.243649 0.756350 0.756350 I\n0.243649 0.756350 0.243650 I\n0.756350 0.243649 0.756350 I\n0.756350 0.756350 0.243650 I\n",
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{
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"created_at": "2022-09-04T14:37:01.004940Z",
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"structure_string": "H24 C16 O8\n1.0\n10.598230 0.000000 0.170273\n0.000000 6.789891 0.000000\n0.090469 0.000000 5.290878\nH C O\n24 16 8\ndirect\n0.572633 0.915830 0.723267 H\n0.993072 0.501160 0.790729 H\n0.993072 -0.001160 0.290728 H\n0.006928 0.001160 0.709271 H\n0.051320 0.698792 0.401524 H\n0.948680 0.301208 0.598476 H\n0.948680 0.198792 0.098476 H\n0.051320 0.801208 0.901524 H\n0.175107 0.289635 0.401997 H\n0.824893 0.710365 0.598003 H\n0.824893 0.789635 0.098003 H\n0.175107 0.210365 0.901997 H\n0.006928 0.498840 0.209271 H\n0.785016 0.512732 0.397318 H\n0.214984 0.487268 0.602681 H\n0.427367 0.415830 0.776733 H\n0.572633 0.584169 0.223267 H\n0.460433 0.783246 0.540894 H\n0.427367 0.084170 0.276732 H\n0.539567 0.283246 0.959106 H\n0.460433 0.716754 0.040894 H\n0.214984 0.012732 0.102681 H\n0.785016 0.987267 0.897319 H\n0.539567 0.216754 0.459106 H\n0.044657 0.537342 0.394193 C\n0.955343 0.462658 0.605807 C\n0.955343 0.037342 0.105807 C\n0.044657 0.962658 0.894193 C\n0.177188 0.451971 0.417152 C\n0.822812 0.548029 0.582848 C\n0.822812 0.951971 0.082848 C\n0.177188 0.048029 0.917152 C\n0.730983 0.474009 0.784086 C\n0.730983 0.025990 0.284086 C\n0.269017 0.974009 0.715914 C\n0.488933 0.571763 0.108970 C\n0.511067 0.428237 0.891030 C\n0.511067 0.071763 0.391030 C\n0.488933 0.928237 0.608970 C\n0.269017 0.525990 0.215914 C\n0.758174 0.399929 -0.014043 O\n0.390736 0.003149 0.783706 O\n0.609264 0.996851 0.216294 O\n0.609264 0.503149 0.716294 O\n0.390736 0.496851 0.283706 O\n0.241826 0.899928 0.514042 O\n0.758174 0.100071 0.485957 O\n0.241826 0.600071 0.014042 O\n",
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{
"id": "jvasp-104969",
"created_at": "2022-09-04T14:36:55.159427Z",
"updated_at": "2022-09-04T14:36:55.159440Z",
"structure_string": "Cd4 Te5 Pb1\n1.0\n6.486898 0.022425 -11.066390\n-0.194509 4.620028 -11.965068\n-0.041098 -0.022425 12.827437\nCd Te Pb\n4 5 1\ndirect\n0.394701 0.393645 0.001056 Cd\n0.785136 0.793388 0.991749 Cd\n0.198361 0.206614 0.991749 Cd\n0.607412 0.606355 0.001056 Cd\n0.632748 0.889000 0.743748 Te\n0.038470 0.300773 0.737699 Te\n0.436927 0.699229 0.737699 Te\n0.854748 0.111000 0.743748 Te\n0.303755 0.500001 0.803756 Te\n0.997742 0.000000 0.997742 Pb\n",
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]
}