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{
"id": "jvasp-13380",
"created_at": "2022-09-04T14:38:03.957618Z",
"updated_at": "2022-09-04T14:38:03.957634Z",
"structure_string": "Rb8 Cd4 O8\n1.0\n6.353186 -0.000000 0.000000\n0.000000 6.390913 0.000000\n0.000000 0.000000 10.565179\nRb Cd O\n8 4 8\ndirect\n0.396637 0.107719 0.344220 Rb\n0.603364 0.392280 0.844220 Rb\n0.896637 0.892280 0.344220 Rb\n0.103363 0.607719 0.844220 Rb\n0.603364 0.892280 0.655781 Rb\n0.396637 0.607719 0.155780 Rb\n0.896637 0.392280 0.155780 Rb\n0.103363 0.107719 0.655781 Rb\n0.250000 0.040259 0.000000 Cd\n0.750000 0.959741 0.000000 Cd\n0.250000 0.540258 0.500000 Cd\n0.750000 0.459741 0.500000 Cd\n0.519038 0.190660 0.096451 O\n0.019037 0.809340 0.096451 O\n0.519038 0.690660 0.403549 O\n0.480963 0.309340 0.596451 O\n0.480963 0.809340 0.903549 O\n0.980963 0.190660 0.903549 O\n0.019037 0.309340 0.403549 O\n0.980963 0.690660 0.596451 O\n",
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{
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"updated_at": "2022-09-04T14:37:41.156528Z",
"structure_string": "K3 B6 Br1 O10\n1.0\n6.441568 -0.014474 -1.289183\n-1.569999 6.247328 -1.289183\n-0.011313 -0.014474 6.569297\nK B Br O\n3 6 1 10\ndirect\n0.071371 0.530248 0.071371 K\n0.071371 0.071371 0.530248 K\n0.530248 0.071371 0.071371 K\n0.641755 0.641755 0.380419 B\n0.641755 0.380419 0.641755 B\n0.380418 0.641755 0.641755 B\n0.519143 0.970539 0.519143 B\n0.519143 0.519143 0.970539 B\n0.970539 0.519143 0.519143 B\n0.003349 0.003349 0.003349 Br\n0.866585 0.633864 0.399491 O\n0.399491 0.866585 0.633864 O\n0.633864 0.399491 0.866585 O\n0.633864 0.866585 0.399491 O\n0.399491 0.633864 0.866585 O\n0.866585 0.399491 0.633864 O\n0.562568 0.562568 0.562568 O\n0.175461 0.507305 0.507305 O\n0.507305 0.175461 0.507305 O\n0.507304 0.507305 0.175461 O\n",
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{
"id": "jvasp-29416",
"created_at": "2022-09-04T14:37:51.099329Z",
"updated_at": "2022-09-04T14:37:51.099360Z",
"structure_string": "Mn4 Sb4 S8 Cl4\n1.0\n3.823740 0.000000 0.000000\n0.000000 9.432167 0.000000\n0.000000 0.000000 12.252403\nMn Sb S Cl\n4 4 8 4\ndirect\n0.250000 0.997301 0.263189 Mn\n0.750000 0.002700 0.736811 Mn\n0.250000 0.497301 0.236811 Mn\n0.750000 0.502700 0.763189 Mn\n0.750000 0.306456 0.465658 Sb\n0.750000 0.806456 0.034342 Sb\n0.250000 0.193545 0.965658 Sb\n0.250000 0.693545 0.534342 Sb\n0.250000 0.948401 0.883045 S\n0.750000 0.051600 0.116955 S\n0.250000 0.253176 0.323187 S\n0.250000 0.448401 0.616955 S\n0.750000 0.246824 0.823187 S\n0.750000 0.551600 0.383045 S\n0.250000 0.753176 0.176813 S\n0.750000 0.746824 0.676813 S\n0.250000 0.563941 0.887612 Cl\n0.750000 0.436059 0.112388 Cl\n0.750000 0.936059 0.387612 Cl\n0.250000 0.063941 0.612388 Cl\n",
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{
"id": "jvasp-20199",
"created_at": "2022-09-04T14:37:49.945224Z",
"updated_at": "2022-09-04T14:37:49.945258Z",
"structure_string": "Nd8 C12\n1.0\n7.035394 0.000000 -2.487387\n-3.517697 6.092830 -2.487387\n-0.000000 -0.000000 7.462162\nNd C\n8 12\ndirect\n0.103979 0.103979 0.103979 Nd\n-0.000000 0.896021 0.499999 Nd\n0.500000 0.000000 0.896021 Nd\n-0.000000 0.396021 0.500000 Nd\n0.500000 0.000000 0.396021 Nd\n0.396021 0.500000 -0.000000 Nd\n0.603978 0.603979 0.603978 Nd\n0.896020 0.500000 -0.000001 Nd\n0.798278 0.048279 0.749999 C\n0.048279 0.750000 0.798278 C\n0.749999 0.798279 0.048278 C\n0.701720 0.451721 0.249999 C\n0.250000 0.701721 0.451720 C\n0.951720 0.201721 0.749999 C\n0.201721 0.750000 0.951720 C\n0.548278 0.298279 0.249999 C\n0.298279 0.250000 0.548278 C\n0.749999 0.951721 0.201720 C\n0.250000 0.548279 0.298278 C\n0.451721 0.250000 0.701720 C\n",
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{
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"created_at": "2022-09-04T14:37:50.569566Z",
"updated_at": "2022-09-04T14:37:50.569590Z",
"structure_string": "V4 O4 F12\n1.0\n-4.969093 -0.005660 0.315219\n0.006007 -5.446579 0.003752\n-0.535320 0.006003 9.182925\nV O F\n4 4 12\ndirect\n0.750007 0.577437 0.749989 V\n0.500000 0.000000 0.500000 V\n0.249992 0.422563 0.250011 V\n0.000000 0.000000 0.000000 V\n0.869585 0.772107 0.871251 O\n0.630580 0.771946 0.628588 O\n0.369418 0.228054 0.371412 O\n0.130414 0.227893 0.128749 O\n0.178498 0.991123 0.606771 F\n0.321476 0.991530 0.893194 F\n0.396319 0.747769 0.388996 F\n0.451025 0.471956 0.851357 F\n0.548974 0.528044 0.148643 F\n0.896008 0.252421 0.889225 F\n0.678523 0.008471 0.106805 F\n0.821500 0.008877 0.393228 F\n0.103991 0.747580 0.110774 F\n0.951117 0.528476 0.351313 F\n0.603680 0.252232 0.611003 F\n0.048882 0.471525 0.648687 F\n",
"nsites": 20,
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"elements": [
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},
{
"id": "jvasp-32189",
"created_at": "2022-09-04T14:38:04.041757Z",
"updated_at": "2022-09-04T14:38:04.041780Z",
"structure_string": "Re2 H8 N2 O8\n1.0\n5.553421 0.000000 -2.410913\n-1.046653 5.453898 -2.410913\n-0.047029 -0.056912 7.493144\nRe H N O\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.750001 0.500000 Re\n0.848193 0.169871 0.599592 H\n0.401807 0.580130 0.900409 H\n0.419871 0.501399 0.099592 H\n0.570280 0.151807 0.400409 H\n0.751399 0.429720 0.599592 H\n0.679720 0.598193 0.099592 H\n0.498602 0.320281 0.900409 H\n0.830129 0.248602 0.400409 H\n0.500000 0.500000 0.000001 N\n0.750000 0.250000 0.500000 N\n0.457987 0.033634 0.663113 O\n0.283635 0.955126 0.163114 O\n0.792013 0.716367 0.836887 O\n0.370521 0.542013 0.336887 O\n0.966366 0.794875 0.336888 O\n0.205126 0.629480 0.663114 O\n0.879479 0.207988 0.163114 O\n0.044874 0.120521 0.836887 O\n",
"nsites": 20,
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"formula_full": "Re2 H8 N2 O8",
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"spacegroup": 88
},
{
"id": "jvasp-41277",
"created_at": "2022-09-04T14:37:57.813078Z",
"updated_at": "2022-09-04T14:37:57.813112Z",
"structure_string": "Mg4 Al2 B4 Ir10\n1.0\n9.466933 -0.000000 0.000000\n-0.000000 9.466933 0.000000\n0.000000 -0.000000 2.941330\nMg Al B Ir\n4 2 4 10\ndirect\n0.176334 0.676333 0.000000 Mg\n0.323666 0.176334 0.000000 Mg\n0.676333 0.823666 0.000000 Mg\n0.823666 0.323666 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.626138 0.126138 0.000000 B\n0.873862 0.626138 0.000000 B\n0.126138 0.373862 0.000000 B\n0.373862 0.873862 0.000000 B\n0.786518 0.071326 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.071326 0.213481 0.500000 Ir\n0.213481 0.928674 0.500000 Ir\n0.286519 0.428674 0.500000 Ir\n0.428674 0.713481 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.571326 0.286519 0.500000 Ir\n0.713481 0.571326 0.500000 Ir\n0.928674 0.786518 0.500000 Ir\n",
"nsites": 20,
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"formula_full": "Mg4 Al2 B4 Ir10",
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{
"id": "jvasp-5734",
"created_at": "2022-09-04T14:37:51.670913Z",
"updated_at": "2022-09-04T14:37:51.670939Z",
"structure_string": "Sn4 Cl16\n1.0\n0.000000 9.662098 -0.089719\n6.538849 0.000000 0.000000\n0.000000 -2.126545 -9.525955\nSn Cl\n4 16\ndirect\n0.247231 0.081001 0.872667 Sn\n0.752770 0.581001 0.627334 Sn\n0.752770 0.919000 0.127334 Sn\n0.247230 0.418999 0.372667 Sn\n0.563760 0.087245 0.191176 Cl\n0.436241 0.587245 0.308825 Cl\n0.313369 0.415013 0.934532 Cl\n0.686632 0.915013 0.565469 Cl\n0.686631 0.584987 0.065469 Cl\n0.313369 0.084987 0.434531 Cl\n0.056351 0.077773 0.682969 Cl\n0.943650 0.922227 0.317032 Cl\n0.563760 0.412755 0.691176 Cl\n0.056351 0.422227 0.182969 Cl\n0.187109 0.587898 0.561034 Cl\n0.812892 0.087898 0.938967 Cl\n0.812892 0.412102 0.438967 Cl\n0.187109 0.912102 0.061034 Cl\n0.943650 0.577774 0.817032 Cl\n0.436241 0.912755 0.808825 Cl\n",
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},
{
"id": "jvasp-46102",
"created_at": "2022-09-04T14:38:04.090520Z",
"updated_at": "2022-09-04T14:38:04.090545Z",
"structure_string": "Dy2 Bi6 O12\n1.0\n6.992789 -0.115041 -0.117748\n-0.273783 6.988374 -0.117746\n-0.273783 -0.280072 6.983752\nDy Bi O\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500001 0.500000 0.499999 Dy\n0.069733 0.555294 0.251831 Bi\n0.251832 0.069733 0.555294 Bi\n0.444707 0.748168 0.930266 Bi\n0.555294 0.251832 0.069733 Bi\n0.748169 0.930267 0.444705 Bi\n0.930268 0.444706 0.748167 Bi\n0.811443 0.599479 0.472444 O\n0.691163 0.926654 0.069441 O\n0.599480 0.472444 0.811441 O\n0.527556 0.188558 0.400520 O\n0.472445 0.811442 0.599478 O\n0.073346 0.930557 0.308837 O\n0.308838 0.073346 0.930557 O\n0.188558 0.400521 0.527555 O\n0.926655 0.069442 0.691162 O\n0.069443 0.691162 0.926654 O\n0.400521 0.527555 0.188557 O\n0.930558 0.308838 0.073345 O\n",
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},
{
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"created_at": "2022-09-04T14:37:48.816360Z",
"updated_at": "2022-09-04T14:37:48.816381Z",
"structure_string": "As4 Cl12 O4\n1.0\n0.000000 8.100220 -0.004725\n6.096193 0.000000 0.000000\n0.000000 -3.855546 -9.448018\nAs Cl O\n4 12 4\ndirect\n0.661749 0.560723 0.987416 As\n0.338250 0.060723 0.512584 As\n0.338251 0.439276 0.012584 As\n0.661749 0.939276 0.487416 As\n0.797196 0.879585 0.987502 Cl\n0.202803 0.379585 0.512498 Cl\n0.202804 0.120415 0.012498 Cl\n0.797196 0.620415 0.487502 Cl\n0.885888 0.428577 0.163452 Cl\n0.114111 0.928577 0.336547 Cl\n0.114111 0.571422 0.836547 Cl\n0.885888 0.071423 0.663452 Cl\n0.655708 0.457266 0.783326 Cl\n0.344291 0.957266 0.716674 Cl\n0.344292 0.542734 0.216674 Cl\n0.655708 0.042734 0.283326 Cl\n0.478199 0.694906 0.005632 O\n0.521801 0.194907 0.494368 O\n0.521801 0.305093 0.994368 O\n0.478198 0.805093 0.505632 O\n",
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},
{
"id": "jvasp-29435",
"created_at": "2022-09-04T14:38:04.713138Z",
"updated_at": "2022-09-04T14:38:04.713156Z",
"structure_string": "K4 Na4 Zn4 O8\n1.0\n5.601417 0.029949 0.000000\n-1.373935 5.674032 0.000000\n0.000000 0.000000 9.599563\nK Na Zn O\n4 4 4 8\ndirect\n0.500011 0.750056 0.377603 K\n0.000010 0.750056 0.122397 K\n-0.000011 0.249944 0.877603 K\n0.499989 0.249944 0.622397 K\n0.999960 0.749958 0.477352 Na\n0.499960 0.749958 0.022648 Na\n0.500040 0.250042 0.977351 Na\n0.000040 0.250042 0.522648 Na\n0.000127 0.750014 0.760397 Zn\n0.499872 0.249985 0.260398 Zn\n0.500127 0.750014 0.739602 Zn\n0.999873 0.249985 0.239602 Zn\n0.295663 0.431686 0.141250 O\n0.704099 0.068234 0.141281 O\n0.204336 0.568314 0.641250 O\n0.295901 0.931766 0.858719 O\n0.704337 0.568314 0.858750 O\n0.795663 0.431686 0.358750 O\n0.795901 0.931766 0.641280 O\n0.204099 0.068234 0.358719 O\n",
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{
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"created_at": "2022-09-04T14:37:41.942822Z",
"updated_at": "2022-09-04T14:37:41.942843Z",
"structure_string": "Re4 Cl16\n1.0\n0.000000 6.393003 -0.003578\n6.225823 0.000000 0.000000\n0.000000 -0.766632 -12.053876\nRe Cl\n4 16\ndirect\n0.314487 0.261130 0.186563 Re\n0.685513 0.261130 0.313437 Re\n0.685513 0.738869 0.813437 Re\n0.314487 0.738869 0.686563 Re\n0.863615 0.433810 0.867040 Cl\n0.136385 0.433810 0.632961 Cl\n0.368464 0.408718 0.373847 Cl\n0.631536 0.408718 0.126154 Cl\n0.631536 0.591281 0.626154 Cl\n0.368464 0.591281 0.873847 Cl\n0.248617 0.103637 0.017134 Cl\n0.751383 0.896363 0.982867 Cl\n0.863615 0.566189 0.367040 Cl\n0.248617 0.896363 0.517134 Cl\n0.500000 0.063620 0.750000 Cl\n0.500000 0.936380 0.250000 Cl\n0.000000 0.915635 0.750000 Cl\n0.000000 0.084364 0.250000 Cl\n0.751383 0.103637 0.482867 Cl\n0.136385 0.566189 0.132961 Cl\n",
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]
}