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{
"id": "jvasp-25616",
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"structure_string": "K4 Sc2 Si8 O20 F2\n1.0\n7.297586 0.000000 3.759969\n3.648793 7.980217 1.879985\n-0.006265 -0.000000 8.973954\nK Sc Si O F\n4 2 8 20 2\ndirect\n0.681768 0.633978 0.002487 K\n0.684254 -0.002487 0.633978 K\n0.318232 0.366022 -0.002487 K\n0.315746 0.002487 0.366022 K\n0.754553 -0.000000 -0.000000 Sc\n0.245448 -0.000000 -0.000000 Sc\n0.878232 0.302639 0.324090 Si\n0.819128 0.675910 0.302639 Si\n0.504962 0.697361 0.675909 Si\n0.797676 0.324090 0.697360 Si\n0.202323 0.675910 0.302639 Si\n0.495037 0.302639 0.324090 Si\n0.121767 0.697361 0.675909 Si\n0.180871 0.324090 0.697360 Si\n0.588768 0.497245 0.728300 O\n0.682932 0.728300 0.502755 O\n0.086011 0.728300 0.502755 O\n0.683425 0.260699 0.372450 O\n0.730023 0.820363 0.187953 O\n0.550386 0.187954 0.179637 O\n0.261661 0.820363 0.187953 O\n0.082024 0.187954 0.179637 O\n0.316574 0.739301 0.627549 O\n0.317067 0.271700 0.497245 O\n0.738338 0.179637 0.812046 O\n0.055875 0.627550 0.260699 O\n0.269976 0.179637 0.812046 O\n0.411231 0.502755 0.271700 O\n0.185687 0.497245 0.728300 O\n0.917975 0.812047 0.820362 O\n0.913988 0.271700 0.497244 O\n0.449613 0.812047 0.820362 O\n0.944124 0.372450 0.739300 O\n0.814312 0.502755 0.271700 O\n0.000000 0.000000 0.000000 F\n0.500000 -0.000000 -0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:37:58.620121Z",
"structure_string": "Ho8 Ti12 Si16\n1.0\n7.054518 0.000000 0.000000\n0.000000 7.054518 -0.000000\n-0.000000 -0.000000 12.948117\nHo Ti Si\n8 12 16\ndirect\n0.340364 0.001655 0.466950 Ho\n0.498345 0.840364 0.716950 Ho\n0.501655 0.159636 0.216950 Ho\n0.840364 0.498345 0.283050 Ho\n0.159636 0.501655 0.783050 Ho\n0.659637 0.998346 0.966950 Ho\n0.001655 0.340364 0.533050 Ho\n0.998346 0.659637 0.033050 Ho\n0.992671 0.847061 0.624102 Ti\n0.007329 0.152940 0.124102 Ti\n0.347061 0.507329 0.374102 Ti\n0.652940 0.492671 0.874102 Ti\n0.507329 0.347061 0.625898 Ti\n0.847061 0.992671 0.375898 Ti\n0.152940 0.007329 0.875898 Ti\n0.672230 0.672230 0.500000 Ti\n0.827770 0.172230 0.750000 Ti\n0.172230 0.827770 0.250000 Ti\n0.327770 0.327770 0.000000 Ti\n0.492671 0.652940 0.125898 Ti\n0.708878 0.045173 0.564927 Si\n0.208878 0.454827 0.185073 Si\n0.791123 0.545174 0.685073 Si\n0.454827 0.208878 0.814927 Si\n0.545174 0.791123 0.314927 Si\n0.291122 0.954827 0.064927 Si\n0.869599 0.797491 0.816927 Si\n0.297491 0.630401 0.566927 Si\n0.797491 0.869599 0.183073 Si\n0.702509 0.369599 0.066927 Si\n0.630401 0.297491 0.433074 Si\n0.369599 0.702509 0.933074 Si\n0.202509 0.130401 0.683074 Si\n0.954827 0.291122 0.935073 Si\n0.130401 0.202509 0.316927 Si\n0.045173 0.708878 0.435073 Si\n",
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"volume": 644.3788937494039,
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{
"id": "jvasp-21778",
"created_at": "2022-09-04T14:37:48.709437Z",
"updated_at": "2022-09-04T14:37:48.709450Z",
"structure_string": "Tl8 Ge8 S20\n1.0\n8.617555 -0.011709 -1.829353\n-2.247122 10.477371 0.004180\n0.012512 0.016497 10.715617\nTl Ge S\n8 8 20\ndirect\n0.104477 0.460080 0.201603 Tl\n0.893086 0.926410 0.796328 Tl\n0.606915 0.203672 0.073591 Tl\n0.106915 0.073591 0.203673 Tl\n0.395523 0.798397 0.539920 Tl\n0.604478 0.201603 0.460081 Tl\n0.895523 0.539920 0.798397 Tl\n0.393085 0.796328 0.926410 Tl\n0.588240 0.520459 0.265405 Ge\n0.411760 0.479541 0.734596 Ge\n0.088240 0.265404 0.520459 Ge\n0.112173 0.270023 0.867084 Ge\n0.387827 0.132916 0.729977 Ge\n0.887828 0.729977 0.132916 Ge\n0.612173 0.867084 0.270023 Ge\n0.911761 0.734596 0.479542 Ge\n0.272691 0.466205 0.894054 S\n0.227309 0.105946 0.533796 S\n0.250000 0.462062 0.537939 S\n0.557202 0.326444 0.759548 S\n0.750000 0.537939 0.462062 S\n0.250000 0.109355 0.890646 S\n0.750001 0.890645 0.109355 S\n0.543193 0.999134 0.757051 S\n0.956808 0.242949 0.000866 S\n0.456808 0.000866 0.242950 S\n0.727310 0.533795 0.105946 S\n0.043192 0.757051 0.999134 S\n0.573441 0.665329 0.760335 S\n0.073441 0.760334 0.665329 S\n0.426559 0.334671 0.239666 S\n0.057202 0.759548 0.326444 S\n0.442799 0.673556 0.240452 S\n0.942799 0.240452 0.673557 S\n0.926560 0.239666 0.334672 S\n0.772691 0.894054 0.466205 S\n",
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{
"id": "jvasp-29683",
"created_at": "2022-09-04T14:37:51.209007Z",
"updated_at": "2022-09-04T14:37:51.209024Z",
"structure_string": "Cd12 I24\n1.0\n4.287218 -0.000000 0.000000\n-2.143610 3.712840 0.000000\n0.000000 -0.000000 82.519090\nCd I\n12 24\ndirect\n0.333333 0.666667 0.687505 Cd\n0.333333 0.666667 0.520842 Cd\n0.333333 0.666667 0.437496 Cd\n0.333333 0.666667 0.937483 Cd\n0.333333 0.666667 0.854189 Cd\n0.333333 0.666667 0.104173 Cd\n0.333333 0.666667 0.187503 Cd\n0.333333 0.666667 0.604163 Cd\n0.333333 0.666667 0.270824 Cd\n0.666667 0.333333 0.770835 Cd\n0.666667 0.333333 0.020851 Cd\n0.333333 0.666667 0.354177 Cd\n0.000000 0.000000 0.916472 I\n0.666667 0.333333 0.541849 I\n0.000000 0.000000 0.749816 I\n0.666667 0.333333 0.291832 I\n0.000000 0.000000 0.333167 I\n0.666667 0.333333 0.958488 I\n0.000000 0.000000 0.083154 I\n0.000000 0.000000 0.499831 I\n0.333333 0.666667 0.041850 I\n0.000000 0.000000 0.833169 I\n0.666667 0.333333 0.875189 I\n0.666667 0.333333 0.125173 I\n0.666667 0.333333 0.625168 I\n0.000000 0.000000 0.666492 I\n0.000000 0.000000 0.583150 I\n0.000000 0.000000 0.249815 I\n0.666667 0.333333 0.375184 I\n0.000000 0.000000 0.416485 I\n0.666667 0.333333 0.458502 I\n0.333333 0.666667 0.791833 I\n0.666667 0.333333 0.708508 I\n0.000000 0.000000 0.166492 I\n0.666667 0.333333 0.208509 I\n0.000000 0.000000 0.999831 I\n",
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{
"id": "jvasp-30328",
"created_at": "2022-09-04T14:38:00.266756Z",
"updated_at": "2022-09-04T14:38:00.266780Z",
"structure_string": "Mg4 I8 O24\n1.0\n5.706918 0.000000 0.000000\n0.000000 16.983640 0.000000\n0.000000 0.000000 5.324297\nMg I O\n4 8 24\ndirect\n0.170740 0.091459 0.695517 Mg\n0.329261 0.908541 0.195516 Mg\n0.670740 0.408541 0.304484 Mg\n0.829261 0.591459 0.804484 Mg\n0.766135 0.707383 0.252281 I\n0.733866 0.292617 0.752281 I\n0.647917 0.076272 0.026140 I\n0.852083 0.923728 0.526140 I\n0.266135 0.792617 0.747720 I\n0.233865 0.207383 0.247719 I\n0.147917 0.423728 0.973861 I\n0.352083 0.576272 0.473860 I\n0.511867 0.167764 0.890635 O\n0.967103 0.699827 0.982179 O\n0.890246 0.482230 0.077866 O\n0.891118 0.380682 0.621875 O\n0.829741 0.049863 0.744739 O\n0.670260 0.950137 0.244739 O\n0.608882 0.619318 0.121875 O\n0.609754 0.517770 0.577867 O\n0.532898 0.300173 0.482179 O\n0.541295 0.344518 0.978073 O\n0.488133 0.667764 0.609366 O\n0.170259 0.549863 0.755262 O\n0.467102 0.800173 0.017822 O\n0.390246 0.017770 0.922134 O\n0.391118 0.119319 0.378126 O\n0.329741 0.450137 0.255262 O\n0.958706 0.655482 0.478073 O\n0.108882 0.880682 0.878126 O\n0.109754 0.982230 0.422134 O\n0.032898 0.199827 0.517822 O\n0.041295 0.155482 0.021928 O\n0.011867 0.332236 0.109366 O\n0.458706 0.844518 0.521928 O\n-0.011867 0.832236 0.390635 O\n",
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{
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"created_at": "2022-09-04T14:37:51.378540Z",
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"structure_string": "Na14 Al6 O16\n1.0\n5.892253 -0.011433 0.039736\n2.589253 7.006775 2.817843\n0.019200 -0.009270 11.345592\nNa Al O\n14 6 16\ndirect\n0.149509 0.101311 0.668081 Na\n0.276135 0.480858 0.450014 Na\n0.550009 0.693026 0.238884 Na\n0.374559 0.911853 0.443700 Na\n0.625439 0.088148 0.556300 Na\n0.524194 0.710078 0.728442 Na\n0.723864 0.519143 0.549986 Na\n0.850490 0.898690 0.331919 Na\n0.740246 0.491750 0.055122 Na\n0.340322 0.902571 0.950497 Na\n0.259753 0.508251 0.944877 Na\n0.475804 0.289923 0.271557 Na\n0.449989 0.306975 0.761116 Na\n0.659677 0.097430 0.049503 Na\n0.065732 0.700377 0.137639 Al\n0.934267 0.299624 0.862361 Al\n0.957341 0.325396 0.355351 Al\n0.833772 0.902214 0.842573 Al\n0.166227 0.097787 0.157426 Al\n0.042658 0.674605 0.644648 Al\n0.465203 0.010935 0.230540 O\n0.160247 0.234209 0.992061 O\n0.534795 0.989066 0.769460 O\n0.221121 0.198186 0.464659 O\n0.066615 0.908000 0.162326 O\n0.024817 0.437801 0.722591 O\n0.642005 0.406995 0.894250 O\n0.778878 0.801815 0.535341 O\n0.933383 0.092001 0.837673 O\n0.323070 0.633624 0.581584 O\n0.051127 0.777721 0.763005 O\n0.975181 0.562200 0.277409 O\n0.357993 0.593006 0.105749 O\n0.839752 0.765792 0.007938 O\n0.948871 0.222280 0.236994 O\n0.676928 0.366377 0.418416 O\n",
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{
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"structure_string": "K16 Sn4 Se16\n1.0\n8.364557 -0.000000 0.000000\n-0.000000 10.295218 0.000000\n0.000000 0.000000 14.366376\nK Sn Se\n16 4 16\ndirect\n0.000000 0.000000 0.000000 K\n0.341030 0.549404 0.224587 K\n0.841031 0.450596 0.275413 K\n0.658970 0.049404 0.775413 K\n0.158970 0.950596 0.724588 K\n0.658970 0.450596 0.775413 K\n0.158970 0.549404 0.724588 K\n0.341030 0.950596 0.224587 K\n0.841031 0.049404 0.275413 K\n0.508190 0.750000 0.919568 K\n0.008189 0.250000 0.580432 K\n0.491811 0.250000 0.080432 K\n0.991811 0.750000 0.419568 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.261123 0.250000 0.834193 Sn\n0.738877 0.750000 0.165808 Sn\n0.238877 0.250000 0.334193 Sn\n0.761123 0.750000 0.665808 Sn\n0.117280 0.250000 0.168400 Se\n0.617280 0.750000 0.331601 Se\n0.143985 0.047337 0.418680 Se\n0.643985 0.952663 0.081320 Se\n0.856015 0.547337 0.581320 Se\n0.356015 0.452663 0.918680 Se\n0.382720 0.250000 0.668400 Se\n0.856015 0.952663 0.581320 Se\n0.143985 0.452663 0.418680 Se\n0.643985 0.547337 0.081320 Se\n0.047268 0.750000 0.173375 Se\n0.452732 0.750000 0.673375 Se\n0.547268 0.250000 0.326625 Se\n0.952732 0.250000 0.826626 Se\n0.356015 0.047337 0.918680 Se\n0.882720 0.750000 0.831601 Se\n",
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{
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"created_at": "2022-09-04T14:37:39.863565Z",
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{
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