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{
"id": "jvasp-89420",
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"structure_string": "K6 U6 Si4 O26\n1.0\n9.617710 0.000000 0.000000\n-4.808855 8.329182 -0.000000\n0.000000 -0.000000 8.437848\nK U Si O\n6 6 4 26\ndirect\n0.959566 0.574138 0.750000 K\n0.040433 0.614570 0.250000 K\n0.425862 0.385430 0.750000 K\n0.385429 0.425862 0.250000 K\n0.614570 0.040433 0.750000 K\n0.574137 0.959566 0.250000 K\n0.755757 0.755757 0.000000 U\n1.000000 0.244243 0.000000 U\n0.244243 -0.000000 0.500000 U\n0.244243 -0.000000 0.000000 U\n0.755757 0.755757 0.500000 U\n1.000000 0.244243 0.500000 U\n0.666667 0.333333 0.446046 Si\n0.333333 0.666667 0.946046 Si\n0.666667 0.333333 0.053955 Si\n0.333333 0.666667 0.553955 Si\n0.176993 0.503494 0.489438 O\n0.194561 0.194561 0.500000 O\n0.743889 0.747401 0.750000 O\n0.503494 0.176993 0.989438 O\n0.673498 0.496505 0.510562 O\n0.003511 0.256111 0.750000 O\n0.252599 0.996488 0.750000 O\n0.823007 0.326502 0.510562 O\n0.194561 0.194561 0.000000 O\n0.747400 0.743889 0.250000 O\n0.176993 0.503494 0.010562 O\n0.496504 0.673498 0.489438 O\n0.256111 0.003512 0.250000 O\n0.496504 0.673498 0.010562 O\n0.823007 0.326502 0.989438 O\n0.673498 0.496505 0.989438 O\n1.000000 0.805438 0.500000 O\n0.503494 0.176993 0.510562 O\n0.805438 -0.000000 0.500000 O\n0.666667 0.333333 0.250000 O\n1.000000 0.805438 0.000000 O\n0.326502 0.823007 0.489438 O\n0.326502 0.823007 0.010562 O\n0.996488 0.252599 0.250000 O\n0.805438 -0.000000 0.000000 O\n0.333333 0.666667 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:37:01.619088Z",
"updated_at": "2022-09-04T14:37:01.619107Z",
"structure_string": "Cu6 B12 O24\n1.0\n5.348850 0.000000 1.855274\n2.674425 8.184911 0.927637\n-0.007785 0.000000 8.660588\nCu B O\n6 12 24\ndirect\n0.500000 -0.000000 -0.000000 Cu\n0.206874 0.168126 0.668126 Cu\n0.125000 0.668126 0.831875 Cu\n0.625000 0.331874 0.168126 Cu\n0.043126 0.831874 0.331874 Cu\n0.750000 0.500000 0.500000 Cu\n0.367728 0.832551 0.537686 B\n0.737964 0.167449 0.462315 B\n0.882272 0.962315 0.667449 B\n0.625937 0.749063 0.249063 B\n0.155413 0.332551 0.962315 B\n0.512035 0.037685 0.332551 B\n0.125000 0.249063 0.250937 B\n0.625000 0.750937 0.749063 B\n0.624063 0.250937 0.750937 B\n0.799720 0.462315 0.832551 B\n0.450280 0.667449 0.037685 B\n0.094587 0.537685 0.167449 B\n0.234485 0.386271 0.238417 O\n0.859173 0.613729 0.761583 O\n0.334878 0.089394 0.229754 O\n0.654027 0.910606 0.770246 O\n0.575728 0.770246 0.089394 O\n0.372659 0.002341 0.502341 O\n0.595973 0.729754 0.589394 O\n0.435367 0.229754 0.910606 O\n0.527097 0.238417 0.613729 O\n0.722903 0.886270 0.261583 O\n0.015515 0.261583 0.113729 O\n0.390827 0.738417 0.886271 O\n0.870755 0.113729 0.738417 O\n0.625000 0.165828 0.334172 O\n0.209173 0.665828 0.165828 O\n0.125000 0.834172 0.665828 O\n0.814633 0.589394 0.270246 O\n0.125000 0.502341 0.997660 O\n0.625000 0.497659 0.002341 O\n0.877341 0.997659 0.497659 O\n0.674272 0.410606 0.729754 O\n0.915122 0.270246 0.410606 O\n0.379245 0.761583 0.386271 O\n0.040828 0.334172 0.834172 O\n",
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{
"id": "jvasp-25801",
"created_at": "2022-09-04T14:37:44.153365Z",
"updated_at": "2022-09-04T14:37:44.153398Z",
"structure_string": "Ba10 As6 Cl2 O24\n1.0\n5.325601 -9.224212 0.000000\n5.325601 9.224212 0.000000\n0.000000 0.000000 7.817853\nBa As Cl O\n10 6 2 24\ndirect\n0.666667 0.333333 0.499004 Ba\n0.333333 0.666667 0.500996 Ba\n0.012486 0.757034 0.750000 Ba\n0.333333 0.666667 0.999004 Ba\n0.744547 0.987513 0.750000 Ba\n0.242966 0.255452 0.750000 Ba\n0.757034 0.744547 0.250000 Ba\n0.987513 0.242966 0.250000 Ba\n0.666667 0.333333 0.000996 Ba\n0.255452 0.012486 0.250000 Ba\n0.628301 0.593927 0.750000 As\n0.406073 0.034373 0.750000 As\n0.034373 0.628301 0.250000 As\n0.593927 0.965626 0.250000 As\n0.965626 0.371699 0.750000 As\n0.371699 0.406073 0.250000 As\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.472025 0.593306 0.250000 O\n0.261053 0.355903 0.427387 O\n0.519226 0.670826 0.750000 O\n0.261053 0.355903 0.072613 O\n0.151601 0.480774 0.750000 O\n0.738947 0.644096 0.572613 O\n0.355903 0.094851 0.927387 O\n0.480774 0.329174 0.250000 O\n0.905148 0.261053 0.572613 O\n0.905148 0.261053 0.927387 O\n0.878719 0.472025 0.750000 O\n0.355903 0.094851 0.572613 O\n0.738947 0.644096 0.927387 O\n0.593306 0.121281 0.750000 O\n0.121281 0.527975 0.250000 O\n0.848399 0.519226 0.250000 O\n0.670826 0.151601 0.250000 O\n0.094851 0.738947 0.427387 O\n0.406694 0.878719 0.250000 O\n0.644096 0.905148 0.427387 O\n0.329174 0.848399 0.750000 O\n0.644096 0.905148 0.072613 O\n0.094851 0.738947 0.072613 O\n0.527975 0.406694 0.750000 O\n",
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"elements": [
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"As",
"Cl",
"O"
],
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"density": 4.924119050296212,
"density_atomic": 0.054680678316069285,
"volume": 768.0958117825186,
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"formula_full": "Ba10 As6 Cl2 O24",
"formula_reduced": "Ba5As3ClO12",
"formula_anonymous": "AB3C5D12",
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},
{
"id": "jvasp-30216",
"created_at": "2022-09-04T14:37:28.748173Z",
"updated_at": "2022-09-04T14:37:28.748197Z",
"structure_string": "Sb16 Cl4 O22\n1.0\n15.269649 0.000000 12.090232\n0.000000 4.174292 0.000000\n-2.517010 0.000000 10.682779\nSb Cl O\n16 4 22\ndirect\n0.976128 0.679251 0.712609 Sb\n0.023872 0.320749 0.287391 Sb\n0.737897 0.017533 0.125782 Sb\n0.762103 0.517533 0.374218 Sb\n0.777676 0.539723 0.865904 Sb\n0.722324 0.039723 0.634096 Sb\n0.572427 0.322181 0.375903 Sb\n0.476128 0.820749 0.212609 Sb\n0.927573 0.822181 0.124097 Sb\n0.427573 0.677818 0.624097 Sb\n0.277676 0.960276 0.365904 Sb\n0.222324 0.460276 0.134096 Sb\n0.237897 0.482467 0.625782 Sb\n0.262103 0.982467 0.874218 Sb\n0.523872 0.179251 0.787391 Sb\n0.072427 0.177819 0.875903 Sb\n0.597235 0.529122 0.891109 Cl\n0.902765 0.029122 0.608891 Cl\n0.097235 0.970878 0.391109 Cl\n0.402765 0.470878 0.108891 Cl\n0.500000 0.000000 0.500000 O\n0.729487 0.531647 0.073513 O\n0.879466 0.587676 0.870820 O\n0.743473 0.536089 0.567898 O\n0.770513 0.031647 0.426486 O\n0.624532 0.994186 0.232237 O\n0.499711 0.428299 0.295784 O\n0.756527 0.036089 0.932102 O\n0.620534 0.087676 0.629180 O\n0.379466 0.912323 0.370820 O\n-0.000289 0.071701 0.795784 O\n0.500289 0.571701 0.704216 O\n0.375468 0.005813 0.767763 O\n0.229487 0.968352 0.573514 O\n0.256527 0.463911 0.432102 O\n0.120534 0.412323 0.129180 O\n0.000000 0.500000 0.000000 O\n0.270513 0.468352 0.926487 O\n0.124532 0.505813 0.732237 O\n0.875468 0.494186 0.267763 O\n0.243473 0.963910 0.067898 O\n0.000289 0.928299 0.204216 O\n",
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"elements": [
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"formula_full": "Sb16 Cl4 O22",
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"spacegroup": 14
},
{
"id": "jvasp-97540",
"created_at": "2022-09-04T14:35:59.861427Z",
"updated_at": "2022-09-04T14:35:59.861457Z",
"structure_string": "Zn2 H16 C8 O16\n1.0\n4.354798 6.734920 -0.699570\n-4.354798 6.734920 0.699570\n0.022317 0.000000 6.599075\nZn H C O\n2 16 8 16\ndirect\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.488115 0.759853 0.253876 H\n0.759853 0.488114 0.246124 H\n0.511886 0.240146 0.746123 H\n0.240147 0.511885 0.753876 H\n0.712004 0.417062 0.045557 H\n0.417062 0.712004 0.454443 H\n0.287996 0.582938 0.954442 H\n0.582939 0.287996 0.545557 H\n0.151136 0.350991 0.389769 H\n0.649009 0.848864 0.889769 H\n0.848864 0.649008 0.610230 H\n0.553375 0.145053 0.122383 H\n0.145053 0.553375 0.377617 H\n0.446625 0.854947 0.877616 H\n0.854947 0.446624 0.622382 H\n0.350991 0.151136 0.110231 H\n0.132617 0.900872 0.003336 C\n0.867383 0.099128 0.996663 C\n0.099128 0.867382 0.503336 C\n0.900872 0.132617 0.496663 C\n0.900352 0.949046 0.504425 C\n0.050954 0.099648 0.004425 C\n0.099648 0.050954 0.495574 C\n0.949047 0.900351 0.995574 C\n0.216660 0.705603 0.505924 O\n0.294397 0.783340 0.005924 O\n0.783340 0.294397 0.494076 O\n0.880487 0.784382 0.989654 O\n0.784383 0.880486 0.510345 O\n0.119514 0.215618 0.010345 O\n0.215618 0.119513 0.489654 O\n0.514057 0.746751 0.403884 O\n0.253249 0.485943 0.903884 O\n0.485943 0.253248 0.596115 O\n0.098985 0.473371 0.307558 O\n0.473372 0.098985 0.192442 O\n0.901015 0.526628 0.692442 O\n0.526629 0.901015 0.807557 O\n0.746752 0.514057 0.096116 O\n0.705603 0.216660 0.994075 O\n",
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"elements": [
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"density_atomic": 0.10844259438834176,
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"formula_full": "Zn2 H16 C8 O16",
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"spacegroup": 15
},
{
"id": "jvasp-22898",
"created_at": "2022-09-04T14:38:20.414694Z",
"updated_at": "2022-09-04T14:38:20.414713Z",
"structure_string": "Yb22 Sb20\n1.0\n10.320851 -0.000000 -5.881950\n-3.352179 9.761294 -5.881950\n0.015565 0.021802 12.023104\nYb Sb\n22 20\ndirect\n0.265308 0.603059 0.206118 Yb\n0.603059 0.940808 0.206118 Yb\n0.603059 0.265308 0.206118 Yb\n0.734692 0.396941 0.793881 Yb\n0.059191 0.396941 0.793881 Yb\n0.396941 0.734691 0.793881 Yb\n0.663077 0.663076 0.326154 Yb\n0.336923 0.336923 0.673845 Yb\n0.834431 0.834431 -0.000000 Yb\n0.165568 0.834431 -0.000000 Yb\n0.834431 0.165569 -0.000000 Yb\n0.165569 0.165569 -0.000000 Yb\n0.189366 0.937931 0.378732 Yb\n0.559199 0.810634 0.621267 Yb\n0.062069 0.810634 0.621267 Yb\n0.810634 0.062069 0.621267 Yb\n0.810634 0.559198 0.621267 Yb\n0.440801 0.189366 0.378732 Yb\n0.940809 0.603059 0.206118 Yb\n0.396941 0.059191 0.793882 Yb\n0.189366 0.440801 0.378732 Yb\n0.937931 0.189366 0.378732 Yb\n0.349594 0.000000 -0.000000 Sb\n0.469163 0.469162 0.350699 Sb\n0.881536 0.881536 0.350699 Sb\n0.469163 0.881536 0.350699 Sb\n0.881536 0.469162 0.350699 Sb\n0.530837 0.118463 0.649301 Sb\n0.118464 0.530837 0.649300 Sb\n0.530837 0.530837 0.649300 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.371865 0.628135 -0.000000 Sb\n0.628135 0.371865 -0.000000 Sb\n0.371865 0.371865 -0.000000 Sb\n0.874620 0.874619 0.749238 Sb\n0.125380 0.125380 0.250762 Sb\n0.650406 0.000000 -0.000000 Sb\n-0.000000 0.650406 -0.000000 Sb\n-0.000000 0.349594 -0.000000 Sb\n0.628135 0.628135 -0.000000 Sb\n0.118464 0.118463 0.649301 Sb\n",
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"formula_full": "Yb22 Sb20",
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},
{
"id": "jvasp-21040",
"created_at": "2022-09-04T14:38:20.354923Z",
"updated_at": "2022-09-04T14:38:20.354942Z",
"structure_string": "Li12 Se6 O24\n1.0\n8.256008 -0.002882 -2.649208\n-3.631549 7.414414 -2.649208\n-0.001798 -0.002882 8.670639\nLi Se O\n12 6 24\ndirect\n0.064717 0.296430 0.892395 Li\n0.377191 0.776602 0.602509 Li\n0.776602 0.602510 0.377191 Li\n0.602510 0.377191 0.776602 Li\n0.223398 0.397490 0.622809 Li\n0.397490 0.622809 0.223398 Li\n0.622809 0.223398 0.397490 Li\n0.107605 0.935282 0.703570 Li\n0.935282 0.703570 0.107605 Li\n0.296429 0.892394 0.064717 Li\n0.892395 0.064718 0.296430 Li\n0.703570 0.107606 0.935282 Li\n0.734803 0.962666 0.551965 Se\n0.265196 0.037334 0.448034 Se\n0.448034 0.265196 0.037333 Se\n0.037333 0.448034 0.265196 Se\n0.962666 0.551966 0.734803 Se\n0.551965 0.734803 0.962666 Se\n0.862023 0.853519 0.534861 O\n0.472861 0.522508 0.810547 O\n0.189453 0.527138 0.477491 O\n0.527138 0.477492 0.189453 O\n0.477492 0.189453 0.527138 O\n0.522508 0.810547 0.472861 O\n0.231709 0.186237 0.894586 O\n0.186236 0.894586 0.231709 O\n0.105414 0.768291 0.813763 O\n0.768291 0.813763 0.105413 O\n0.813763 0.105414 0.768291 O\n0.922920 0.570531 0.252365 O\n0.570531 0.252366 0.922920 O\n0.894586 0.231709 0.186236 O\n0.077080 0.429469 0.747634 O\n0.429469 0.747634 0.077079 O\n0.747634 0.077080 0.429469 O\n0.146480 0.465139 0.137977 O\n0.465139 0.137977 0.146480 O\n0.252365 0.922920 0.570531 O\n0.810547 0.472862 0.522508 O\n0.534861 0.862023 0.853519 O\n0.137977 0.146480 0.465139 O\n0.853520 0.534861 0.862023 O\n",
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"formula_full": "Li12 Se6 O24",
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"spacegroup": 148
},
{
"id": "jvasp-96878",
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