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{
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{
"id": "jvasp-97746",
"created_at": "2022-09-04T14:35:54.924143Z",
"updated_at": "2022-09-04T14:35:54.924174Z",
"structure_string": "H16 Pt2 O12\n1.0\n4.064714 3.653195 -0.267013\n-4.064714 3.653195 0.267013\n-0.013748 0.000000 7.406673\nH Pt O\n16 2 12\ndirect\n0.136777 0.618788 0.847283 H\n0.971213 0.949018 0.484743 H\n0.157278 0.157049 0.712284 H\n0.050980 0.028786 0.984743 H\n0.406071 0.762246 0.601717 H\n0.541582 0.473819 0.008399 H\n0.526179 0.458417 0.508399 H\n0.237753 0.593927 0.101717 H\n0.842949 0.842721 0.212284 H\n0.516608 0.139515 0.338645 H\n0.111012 0.254194 0.252693 H\n0.805940 0.377765 0.111171 H\n0.745804 0.888987 0.752693 H\n0.622233 0.194059 0.611171 H\n0.860484 0.483391 0.838644 H\n0.381211 0.863222 0.347283 H\n0.006339 0.496290 0.506127 Pt\n0.503709 -0.006339 0.006127 Pt\n0.143960 0.174601 0.575115 O\n0.188505 0.139485 0.927048 O\n0.354364 0.656819 0.496284 O\n0.674283 0.349005 0.005715 O\n0.650994 0.325716 0.505715 O\n0.590219 0.965869 0.747342 O\n0.398610 0.025034 0.266365 O\n0.034130 0.409780 0.247343 O\n0.974965 0.601389 0.766365 O\n0.825398 0.856039 0.075115 O\n0.343180 0.645635 0.996284 O\n0.860514 0.811494 0.427049 O\n",
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{
"id": "jvasp-97749",
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"structure_string": "La6 Ga8 Cl2\n1.0\n7.084867 -0.002779 -3.985777\n-4.661169 6.658112 -0.157514\n-0.001945 0.002779 8.129069\nLa Ga Cl\n6 8 2\ndirect\n0.821269 0.160635 0.660634 La\n0.499999 0.660635 0.839365 La\n0.500000 0.339365 0.160635 La\n-0.000000 0.250000 0.250000 La\n0.178730 0.839365 0.339365 La\n-0.000001 0.750000 0.750000 La\n0.786056 0.445685 0.945685 Ga\n0.500000 0.340371 0.554315 Ga\n0.786056 0.840371 0.340371 Ga\n0.500000 0.945685 0.159629 Ga\n0.500000 0.054315 0.840371 Ga\n0.213944 0.554315 0.054315 Ga\n0.500000 0.659629 0.445685 Ga\n0.213943 0.159629 0.659629 Ga\n0.000000 0.000000 0.000000 Cl\n-0.000000 0.500000 0.500000 Cl\n",
"nsites": 16,
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"elements": [
"La",
"Ga",
"Cl"
],
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"density_atomic": 0.04173612463074517,
"volume": 383.3609407092268,
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"formula_full": "La6 Ga8 Cl2",
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{
"id": "jvasp-9775",
"created_at": "2022-09-04T14:37:10.490475Z",
"updated_at": "2022-09-04T14:37:10.490492Z",
"structure_string": "Sr2 Cu1 Te1 O6\n1.0\n4.802857 0.000000 -2.593164\n-1.400105 4.594251 -2.593164\n0.029754 0.040172 5.799430\nSr Cu Te O\n2 1 1 6\ndirect\n0.249999 0.750000 0.500000 Sr\n0.750000 0.250000 0.500001 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000001 Te\n0.691970 0.805200 0.000001 O\n0.194799 0.691970 0.000000 O\n0.805200 0.308030 0.000001 O\n0.308030 0.194800 0.000000 O\n0.274911 0.274911 0.549823 O\n0.725088 0.725088 0.450177 O\n",
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{
"id": "jvasp-97751",
"created_at": "2022-09-04T14:38:16.829051Z",
"updated_at": "2022-09-04T14:38:16.829073Z",
"structure_string": "C16 Se8 N16\n1.0\n6.710461 0.000000 0.000000\n0.000000 8.437974 0.000000\n0.000000 0.000000 12.600302\nC Se N\n16 8 16\ndirect\n0.725920 0.686751 0.636368 C\n0.842374 0.485409 0.624059 C\n0.157626 0.514590 0.375941 C\n0.842374 0.985409 0.875941 C\n0.657626 0.985409 0.375941 C\n0.157626 0.014590 0.124059 C\n0.657626 0.485409 0.124059 C\n0.342374 0.514590 0.875941 C\n0.274080 0.813248 0.136368 C\n0.774080 0.686751 0.136368 C\n0.588199 0.893753 0.888662 C\n0.225920 0.813248 0.636368 C\n0.342374 0.014590 0.624059 C\n0.911800 0.893753 0.388662 C\n0.774080 0.186751 0.363632 C\n0.411801 0.106247 0.111338 C\n0.225920 0.313249 0.863632 Se\n0.725920 0.186751 0.863632 Se\n0.274080 0.313249 0.363632 Se\n0.911800 0.393753 0.111338 Se\n0.088199 0.606246 0.888662 Se\n0.411801 0.606246 0.388662 Se\n0.088199 0.106247 0.611338 Se\n0.588199 0.393753 0.611338 Se\n0.344403 0.687483 0.143354 N\n0.564337 0.671313 0.396180 N\n0.655597 0.312517 0.856646 N\n0.435663 0.828686 0.896180 N\n0.064337 0.328686 0.103820 N\n0.655597 0.812516 0.643354 N\n0.844403 0.312517 0.356646 N\n0.155597 0.687483 0.643354 N\n0.064337 0.828686 0.396180 N\n0.935663 0.171314 0.603820 N\n0.844403 0.812516 0.143354 N\n0.344403 0.187483 0.356646 N\n0.155597 0.187483 0.856646 N\n0.435663 0.328686 0.603820 N\n0.564337 0.171314 0.103820 N\n0.935663 0.671313 0.896180 N\n",
"nsites": 40,
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{
"id": "jvasp-97754",
"created_at": "2022-09-04T14:35:52.350972Z",
"updated_at": "2022-09-04T14:35:52.350994Z",
"structure_string": "Hf2 Cl8 O32\n1.0\n7.075939 0.017120 1.935448\n2.906866 6.451305 1.935448\n0.023764 0.015398 12.946848\nHf Cl O\n2 8 32\ndirect\n0.398453 0.354144 0.589435 Hf\n0.354144 0.398453 0.089435 Hf\n0.712562 0.153798 0.420978 Cl\n0.393820 0.986984 0.184661 Cl\n0.765650 0.358709 -0.005751 Cl\n0.598904 0.039976 0.757847 Cl\n0.358709 0.765651 0.494249 Cl\n0.153798 0.712563 0.920978 Cl\n0.986983 0.393820 0.684661 Cl\n0.039976 0.598905 0.257847 Cl\n0.913405 0.814339 0.234362 O\n0.194366 0.481493 0.951112 O\n0.565092 0.798093 0.164014 O\n0.629733 0.432759 0.100232 O\n0.187424 0.954499 0.514954 O\n0.271054 0.558294 0.227743 O\n0.484919 0.034626 0.674457 O\n0.839171 0.938370 0.444436 O\n0.786377 0.529058 0.916488 O\n0.253236 0.757072 0.813424 O\n0.122839 0.319868 0.578644 O\n0.481492 0.194367 0.451112 O\n0.814338 0.913406 0.734362 O\n-0.004594 0.499509 0.365403 O\n0.529057 0.786378 0.416487 O\n0.717934 0.267759 0.504370 O\n0.289275 0.621319 0.461998 O\n0.954498 0.187424 0.014954 O\n0.757071 0.253237 0.313424 O\n0.966334 0.223409 0.762397 O\n0.938369 0.839171 0.944436 O\n0.432758 0.629733 0.600232 O\n0.558293 0.271054 0.727743 O\n0.499508 -0.004593 0.865403 O\n0.267759 0.717935 0.004370 O\n0.319867 0.122839 0.078644 O\n0.034626 0.484920 0.174457 O\n0.798092 0.565092 0.664014 O\n0.223408 0.966335 0.262397 O\n0.621318 0.289275 0.961998 O\n0.463246 0.131331 0.216902 O\n0.131330 0.463247 0.716902 O\n",
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{
"id": "jvasp-97755",
"created_at": "2022-09-04T14:35:57.356603Z",
"updated_at": "2022-09-04T14:35:57.356627Z",
"structure_string": "Ce8 Si8 O28\n1.0\n5.444812 0.000000 -0.016665\n0.000000 8.726731 0.000000\n0.005943 0.000000 13.065014\nCe Si O\n8 8 28\ndirect\n0.740107 0.897134 0.090150 Ce\n0.248442 0.694742 0.269904 Ce\n0.240107 0.602866 0.590150 Ce\n0.751557 0.305257 0.730095 Ce\n0.259892 0.102866 0.909849 Ce\n0.759892 0.397134 0.409849 Ce\n0.251558 0.194743 0.230096 Ce\n0.748442 0.805257 0.769904 Ce\n0.729428 0.249572 0.024130 Si\n0.228831 0.500492 0.822433 Si\n0.728831 0.999508 0.322433 Si\n0.770572 0.749572 0.475869 Si\n0.271168 0.000492 0.677566 Si\n0.229427 0.250428 0.524130 Si\n0.771168 0.499508 0.177566 Si\n0.270572 0.750428 0.975869 Si\n0.477442 0.523609 0.752423 O\n0.983368 0.157385 0.053950 O\n0.483368 0.342615 0.553950 O\n0.767246 0.927644 0.437213 O\n0.839304 0.739525 0.596545 O\n0.645761 0.178052 0.328028 O\n0.732754 0.427644 0.062787 O\n0.160696 0.260475 0.403454 O\n0.354238 0.821948 0.671971 O\n0.502818 0.917775 0.260047 O\n0.522557 0.476391 0.247576 O\n0.145761 0.321948 0.828028 O\n0.493068 0.852302 0.920848 O\n0.497181 0.082225 0.739953 O\n0.854239 0.678052 0.171971 O\n0.660695 0.239525 0.903454 O\n0.997182 0.417775 0.239953 O\n0.267246 0.572356 0.937213 O\n0.977442 0.976391 0.252423 O\n0.506931 0.147698 0.079152 O\n0.016631 0.842615 0.946050 O\n0.339304 0.760475 0.096546 O\n0.993068 0.647698 0.420848 O\n0.006931 0.352302 0.579152 O\n0.002818 0.582225 0.760047 O\n0.232753 0.072356 0.562787 O\n0.516631 0.657385 0.446050 O\n0.022557 0.023609 0.747576 O\n",
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{
"id": "jvasp-97756",
"created_at": "2022-09-04T14:35:59.565431Z",
"updated_at": "2022-09-04T14:35:59.565446Z",
"structure_string": "H24 O12\n1.0\n6.504055 0.000000 0.000000\n0.000000 6.504055 0.000000\n0.000000 0.000000 6.592478\nH O\n24 12\ndirect\n0.480729 0.165900 0.534918 H\n0.292303 0.356208 0.112865 H\n0.707696 0.643791 0.612865 H\n0.143792 0.792303 0.362865 H\n0.856208 0.207696 0.862865 H\n0.356208 0.292303 0.887135 H\n0.643791 0.707696 0.387135 H\n0.792303 0.143792 0.637135 H\n0.116192 0.146962 0.298506 H\n0.883807 0.853038 0.798506 H\n0.353038 0.616192 0.548506 H\n0.646961 0.383807 0.048505 H\n0.207696 0.856208 0.137135 H\n0.853038 0.883807 0.201495 H\n0.383807 0.646961 0.951495 H\n0.616192 0.353038 0.451495 H\n0.980729 0.334099 0.215083 H\n0.019271 0.665900 0.715083 H\n0.165900 0.480729 0.465083 H\n0.834099 0.519270 0.965083 H\n0.334099 0.980729 0.784918 H\n0.665900 0.019271 0.284918 H\n0.519270 0.834099 0.034917 H\n0.146962 0.116192 0.701495 H\n0.199546 0.609669 0.541058 O\n0.800454 0.390330 0.041058 O\n0.300454 0.109669 0.708942 O\n0.699545 0.890330 0.208942 O\n0.390330 0.800454 0.958942 O\n0.889892 0.110107 0.750000 O\n0.389892 0.389892 0.000000 O\n0.610107 0.610107 0.500000 O\n0.110107 0.889892 0.250000 O\n0.890330 0.699545 0.791058 O\n0.609669 0.199546 0.458942 O\n0.109669 0.300454 0.291058 O\n",
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{
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"created_at": "2022-09-04T14:36:02.669446Z",
"updated_at": "2022-09-04T14:36:02.669470Z",
"structure_string": "K2 Zr1 Cd1 H16 C8 O24\n1.0\n-5.643267 5.643267 4.348085\n5.643267 -5.643267 4.348085\n5.643267 5.643267 -4.348085\nK Zr Cd H C O\n2 1 1 16 8 24\ndirect\n0.499999 0.499999 0.000000 K\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 Zr\n0.000000 0.000000 0.000000 Cd\n0.995852 0.150197 0.667379 H\n0.482819 0.328473 0.332621 H\n0.849802 0.517181 0.845654 H\n0.671527 0.004148 0.154346 H\n0.139266 0.220657 0.580775 H\n0.639882 0.558491 0.419226 H\n0.779343 0.360118 0.918609 H\n0.441508 0.860734 0.081391 H\n0.811926 0.892918 0.422840 H\n0.470079 0.389087 0.577161 H\n0.107082 0.529922 0.919008 H\n0.610913 0.188073 0.080992 H\n0.583153 0.750919 0.352043 H\n0.398877 0.231111 0.647958 H\n0.249081 0.601124 0.832234 H\n0.768889 0.416846 0.167766 H\n0.229982 0.953889 0.276021 C\n0.677867 0.953961 0.723979 C\n0.046039 0.770018 0.723907 C\n0.046111 0.322132 0.276094 C\n0.558742 0.795921 0.777952 C\n0.219209 0.441258 0.237179 C\n0.204079 0.982031 0.762821 C\n0.017969 0.780790 0.222049 C\n0.851891 0.411851 0.852815 O\n0.559037 -0.000924 0.147186 O\n0.694459 0.754086 0.358935 O\n0.395152 0.335525 0.641066 O\n0.245914 0.604848 0.940373 O\n0.664475 0.305540 0.059627 O\n0.352872 0.969351 0.394249 O\n0.575103 0.958624 0.605752 O\n0.030649 0.424897 0.383522 O\n0.041376 0.647127 0.616479 O\n0.268137 0.064562 0.205111 O\n0.935438 0.140548 0.203575 O\n0.936974 0.731863 0.796426 O\n0.886056 0.748662 0.106375 O\n0.642287 0.779682 0.893625 O\n0.251337 0.357713 0.137395 O\n0.220319 0.113943 0.862606 O\n-0.002783 0.678977 0.306553 O\n0.372424 0.690665 0.693448 O\n0.321023 0.627576 0.318241 O\n0.309336 0.002783 0.681760 O\n0.588148 0.440962 0.440039 O\n0.859452 0.063026 0.794890 O\n0.000924 0.148110 0.559961 O\n",
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{
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