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{
"id": "jvasp-61086",
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{
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"updated_at": "2022-09-04T14:36:17.014774Z",
"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.524203 0.000000 -0.316337\n0.000000 6.757537 0.000000\n-0.149012 0.000000 16.894253\nRb Si Bi S\n4 4 4 16\ndirect\n0.248187 0.244745 0.965477 Rb\n0.748186 0.255255 0.465477 Rb\n0.251814 0.744746 0.534522 Rb\n0.751813 0.755255 0.034522 Rb\n0.955085 0.268777 0.158661 Si\n0.455085 0.231223 0.658661 Si\n0.544914 0.768778 0.341339 Si\n0.044915 0.731223 0.841339 Si\n0.961870 0.286633 0.722777 Bi\n0.038129 0.713367 0.277222 Bi\n0.461870 0.213367 0.222778 Bi\n0.538129 0.786633 0.777222 Bi\n0.865734 0.992639 0.856110 S\n0.840836 0.494854 0.864762 S\n0.340837 0.005146 0.364762 S\n0.159163 0.505146 0.135238 S\n0.180592 0.240754 0.584582 S\n0.819408 0.759247 0.415418 S\n0.623748 0.813220 0.220146 S\n0.376251 0.186781 0.779853 S\n0.680592 0.259246 0.084582 S\n0.876251 0.313220 0.279853 S\n0.134265 0.007361 0.143889 S\n0.634265 0.492639 0.643889 S\n0.659163 0.994855 0.635237 S\n0.365734 0.507361 0.356111 S\n0.319408 0.740754 0.915418 S\n0.123749 0.686781 0.720146 S\n",
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{
"id": "jvasp-21535",
"created_at": "2022-09-04T14:36:17.427239Z",
"updated_at": "2022-09-04T14:36:17.427265Z",
"structure_string": "Ca4 Te8 O20\n1.0\n0.000000 9.419572 0.113045\n5.693558 0.000000 0.000000\n0.000000 -4.638447 -10.145689\nCa Te O\n4 8 20\ndirect\n0.018947 0.199024 0.640015 Ca\n0.981053 0.699024 0.859986 Ca\n0.981053 0.800976 0.359986 Ca\n0.018947 0.300976 0.140015 Ca\n0.348218 0.151201 0.989785 Te\n0.651781 0.848799 0.010216 Te\n0.348219 0.348799 0.489785 Te\n0.651781 0.651201 0.510216 Te\n0.732529 0.175778 0.775111 Te\n0.732529 0.324222 0.275111 Te\n0.267471 0.824222 0.224890 Te\n0.267471 0.675778 0.724890 Te\n0.771507 0.897083 0.896675 O\n0.886085 0.348084 0.911765 O\n0.113915 0.848084 0.588235 O\n0.150520 0.001905 0.295450 O\n0.849480 0.501905 0.204551 O\n0.849480 -0.001905 0.704551 O\n0.150520 0.498096 0.795450 O\n0.228493 0.397083 0.603325 O\n0.771507 0.602918 0.396675 O\n0.478580 0.606647 0.593314 O\n0.198958 0.974810 0.847500 O\n0.801041 0.474810 0.652500 O\n0.801042 0.025190 0.152500 O\n0.198958 0.525190 0.347500 O\n0.886085 0.151916 0.411765 O\n0.521420 0.106647 0.906687 O\n0.521420 0.393353 0.406687 O\n0.478580 0.893353 0.093314 O\n0.228493 0.102917 0.103325 O\n0.113915 0.651917 0.088235 O\n",
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],
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{
"id": "jvasp-96866",
"created_at": "2022-09-04T14:36:17.867520Z",
"updated_at": "2022-09-04T14:36:17.867541Z",
"structure_string": "Tl4 P4 H8 O16\n1.0\n14.002568 0.000000 -0.574493\n0.000000 4.511307 0.000000\n-0.067145 0.000000 6.476943\nTl P H O\n4 4 8 16\ndirect\n0.625634 0.520643 0.265722 Tl\n0.874366 0.020642 0.734278 Tl\n0.374365 0.479358 0.734278 Tl\n0.125634 0.979358 0.265722 Tl\n0.875986 0.483798 0.235990 P\n0.624014 0.983798 0.764010 P\n0.124014 0.516203 0.764010 P\n0.375985 0.016202 0.235990 P\n0.187506 0.980189 0.763822 H\n0.687506 0.519812 0.763823 H\n0.812493 0.019812 0.236178 H\n0.312493 0.480188 0.236177 H\n-0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.680412 0.229305 0.662439 O\n0.819588 0.729306 0.337561 O\n0.304889 0.272820 0.162711 O\n0.195111 0.772820 0.837289 O\n0.695111 0.727181 0.837289 O\n0.804889 0.227181 0.162711 O\n0.452674 0.160320 0.386121 O\n0.547326 0.839680 0.613879 O\n0.952674 0.339680 0.386121 O\n0.423984 0.896237 0.041741 O\n0.076016 0.396236 0.958258 O\n0.576016 0.103764 0.958259 O\n0.923984 0.603764 0.041742 O\n0.180412 0.270695 0.662439 O\n0.047326 0.660321 0.613879 O\n0.319588 0.770696 0.337561 O\n",
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{
"id": "jvasp-44027",
"created_at": "2022-09-04T14:36:17.933096Z",
"updated_at": "2022-09-04T14:36:17.933115Z",
"structure_string": "Li4 Mn4 F16\n1.0\n0.000000 5.762892 0.100605\n4.624870 0.000000 0.000000\n0.000000 -0.173358 -9.955233\nLi Mn F\n4 4 16\ndirect\n0.500008 0.249996 0.000002 Li\n0.499996 0.249997 0.500003 Li\n0.000009 0.750004 0.000002 Li\n-0.000004 0.750003 0.500002 Li\n0.208394 0.249351 0.749337 Mn\n0.791609 0.250649 0.250671 Mn\n0.708394 0.750649 0.749337 Mn\n0.291609 0.749351 0.250670 Mn\n0.448844 0.481056 0.829344 F\n0.510764 0.495399 0.331235 F\n0.010764 0.504601 0.331235 F\n0.948844 0.518944 0.829344 F\n0.279944 0.540926 0.092034 F\n0.726036 0.545176 0.590713 F\n0.273961 0.954829 0.409296 F\n0.551159 0.018942 0.170662 F\n0.051159 0.981058 0.170662 F\n0.989237 -0.004600 0.668774 F\n0.226036 0.454825 0.590713 F\n0.489238 0.004600 0.668773 F\n0.220063 0.040925 0.907971 F\n0.773961 0.045171 0.409296 F\n0.720063 0.959075 0.907972 F\n0.779944 0.459074 0.092034 F\n",
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"volume": 265.2524442326865,
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"formula_full": "Li4 Mn4 F16",
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{
"id": "jvasp-91452",
"created_at": "2022-09-04T14:36:18.053627Z",
"updated_at": "2022-09-04T14:36:18.053656Z",
"structure_string": "Tl4 C4 O8\n1.0\n5.863330 0.000000 0.000000\n0.000000 6.588934 -1.044703\n0.000000 0.007130 6.623484\nTl C O\n4 4 8\ndirect\n0.440508 0.184329 0.825109 Tl\n0.059492 0.184329 0.325109 Tl\n0.940508 0.815670 0.674890 Tl\n0.559492 0.815670 0.174891 Tl\n0.594296 0.428909 0.444667 C\n0.094296 0.571090 0.055333 C\n0.405704 0.571090 0.555333 C\n0.905704 0.428909 0.944667 C\n0.757841 0.512534 0.363071 O\n0.926048 0.239701 0.944030 O\n0.242159 0.487465 0.636928 O\n0.257841 0.487465 0.136929 O\n0.426048 0.760298 0.555969 O\n0.073952 0.760298 0.055971 O\n0.742159 0.512534 0.863071 O\n0.573952 0.239701 0.444030 O\n",
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{
"id": "jvasp-61862",
"created_at": "2022-09-04T14:36:18.779800Z",
"updated_at": "2022-09-04T14:36:18.779841Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842749 0.004017\n7.642463 0.000000 0.000000\n0.000000 -0.030450 -9.706724\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991967 0.393734 0.836438 Ca\n0.008033 0.893734 0.663561 Ca\n0.008033 0.606266 0.163561 Ca\n0.991967 0.106266 0.336439 Ca\n0.529252 0.732420 0.915934 Si\n0.470749 0.232420 0.584065 Si\n0.470749 0.267579 0.084065 Si\n0.529251 0.767579 0.415935 Si\n0.428438 0.911363 0.159018 B\n0.571562 0.411363 0.340982 B\n0.571562 0.088637 0.840982 B\n0.428438 0.588637 0.659017 B\n0.810024 0.535200 0.577336 H\n0.189976 0.035200 0.922663 H\n0.810024 0.964800 0.077336 H\n0.189976 0.464800 0.422664 H\n0.678290 0.335260 0.211214 O\n0.260998 0.413722 0.336700 O\n0.739002 0.913721 0.163299 O\n0.687365 0.588984 0.354292 O\n0.312635 0.088984 0.145708 O\n0.312635 0.411016 0.645707 O\n0.687365 0.911015 0.854292 O\n0.321711 0.835259 0.288786 O\n0.678290 0.164740 0.711214 O\n0.241713 0.095466 0.535982 O\n0.325923 0.697587 0.542357 O\n0.674078 0.197587 0.957642 O\n0.674078 0.302413 0.457642 O\n0.325922 0.802413 0.042357 O\n0.758288 0.904534 0.464017 O\n0.241713 0.404534 0.035982 O\n0.260998 0.086278 0.836700 O\n0.758288 0.595466 0.964017 O\n0.321711 0.664740 0.788786 O\n0.739002 0.586278 0.663299 O\n",
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{
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"created_at": "2022-09-04T14:36:18.210609Z",
"updated_at": "2022-09-04T14:36:18.210639Z",
"structure_string": "Rb4 P4 O12\n1.0\n4.233310 0.000000 0.000000\n0.000000 6.423038 -0.706396\n0.000000 -0.052701 12.135439\nRb P O\n4 4 12\ndirect\n0.140447 0.777583 0.091796 Rb\n0.859553 0.222418 0.908204 Rb\n0.359553 0.277583 0.591796 Rb\n0.640447 0.722418 0.408204 Rb\n0.493623 0.318712 0.177968 P\n0.993623 0.181288 0.322032 P\n0.506376 0.681288 0.822032 P\n0.006377 0.818713 0.677968 P\n0.755042 0.651434 0.718435 O\n0.255042 0.848567 0.781565 O\n0.852776 0.026833 0.675770 O\n0.337954 0.212440 0.076347 O\n0.837954 0.287560 0.423653 O\n0.662046 0.787560 0.923653 O\n0.162046 0.712441 0.576347 O\n0.647224 0.526833 0.175769 O\n0.147224 0.973168 0.324230 O\n0.352776 0.473168 0.824230 O\n0.744958 0.151434 0.218435 O\n0.244958 0.348566 0.281565 O\n",
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{
"id": "jvasp-43972",
"created_at": "2022-09-04T14:36:18.165719Z",
"updated_at": "2022-09-04T14:36:18.165745Z",
"structure_string": "Li4 Mn2 B4 O12\n1.0\n0.000000 5.336632 0.052350\n7.698597 0.000000 0.000000\n0.000000 -2.720435 -5.176057\nLi Mn B O\n4 2 4 12\ndirect\n0.610801 0.435078 0.808287 Li\n0.389198 0.935079 0.691714 Li\n0.610801 0.064922 0.308287 Li\n0.389198 0.564922 0.191714 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.125991 0.258988 0.873566 B\n0.874007 0.758988 0.626435 B\n0.125992 0.241012 0.373566 B\n0.874008 0.741012 0.126435 B\n0.880960 0.263942 0.399055 O\n0.119039 0.763942 0.100945 O\n0.228530 0.082205 0.348049 O\n0.275383 0.395627 0.415438 O\n0.724616 0.604374 0.584563 O\n0.275383 0.104374 0.915438 O\n0.880960 0.236058 0.899056 O\n0.119039 0.736059 0.600945 O\n0.228530 0.417795 0.848050 O\n0.771469 0.582206 0.151951 O\n0.771469 0.917795 0.651951 O\n0.724616 0.895627 0.084563 O\n",
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{
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"structure_string": "C4 S12 N16\n1.0\n0.000000 5.402189 0.072317\n8.620240 0.000000 0.000000\n0.000000 -3.153233 -11.570669\nC S N\n4 12 16\ndirect\n0.389799 0.159292 0.715166 C\n0.610202 0.659292 0.784834 C\n0.610201 0.840708 0.284833 C\n0.389799 0.340708 0.215166 C\n0.165609 0.924207 0.165662 S\n0.165610 0.575793 0.665662 S\n0.834391 0.075793 0.834337 S\n0.959115 0.168734 0.379125 S\n0.040885 0.668734 0.120875 S\n0.834391 0.424207 0.334337 S\n0.959116 0.331266 0.879125 S\n0.642373 0.284180 0.505234 S\n0.357627 0.784179 0.994766 S\n0.357627 0.715820 0.494766 S\n0.642373 0.215820 0.005233 S\n0.040885 0.831266 0.620875 S\n0.283082 0.937470 0.054451 N\n0.716918 0.437470 0.445549 N\n0.780621 0.355941 0.965177 N\n0.219380 0.855941 0.534822 N\n0.219380 0.644059 0.034822 N\n0.780620 0.144059 0.465177 N\n0.602200 0.414346 0.217888 N\n0.602200 0.085654 0.717888 N\n0.397801 0.585654 0.782112 N\n0.191999 0.277377 0.206971 N\n0.808001 0.777377 0.293028 N\n0.808001 0.722623 0.793029 N\n0.192000 0.222623 0.706971 N\n0.283082 0.562530 0.554451 N\n0.397800 0.914346 0.282112 N\n0.716919 0.062530 0.945549 N\n",
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