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{
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"structure_string": "Li4 Sb4 P16 O48\n1.0\n9.018489 0.000000 0.000000\n0.000000 7.432233 0.000000\n0.000000 5.774830 15.522543\nLi Sb P O\n4 4 16 48\ndirect\n0.586516 0.926646 0.072273 Li\n0.086516 0.073354 0.427727 Li\n0.913484 0.926646 0.572273 Li\n0.413484 0.073354 0.927727 Li\n0.648162 0.332415 0.641118 Sb\n0.851838 0.332415 0.141118 Sb\n0.148162 0.667585 0.858882 Sb\n0.351838 0.667585 0.358882 Sb\n0.058753 0.662235 0.216338 P\n0.271155 0.352841 0.577541 P\n0.239414 0.763233 0.056243 P\n0.039147 0.076045 0.693260 P\n0.739414 0.236767 0.443757 P\n0.558753 0.337765 0.283662 P\n0.539147 0.923955 0.806740 P\n0.228845 0.352841 0.077541 P\n0.771155 0.647159 0.922459 P\n0.460853 0.076045 0.193260 P\n0.441247 0.662235 0.716338 P\n0.260586 0.763233 0.556243 P\n0.960853 0.923955 0.306740 P\n0.760586 0.236767 0.943757 P\n0.728845 0.647159 0.422459 P\n0.941247 0.337765 0.783662 P\n0.379259 0.880545 0.043205 O\n0.149085 0.796340 0.134517 O\n0.158061 0.564804 0.291858 O\n0.041794 0.178451 0.764211 O\n0.277657 0.392005 0.482289 O\n0.786131 0.461419 0.401387 O\n0.405774 0.270094 0.632124 O\n0.452713 0.462912 0.310501 O\n0.131790 0.216228 0.613511 O\n0.625769 0.108094 0.767106 O\n0.952713 0.537088 0.189499 O\n0.286131 0.538581 0.098613 O\n0.777657 0.607995 0.017711 O\n0.888713 0.060877 0.657927 O\n0.637582 0.205791 0.518630 O\n0.658061 0.435196 0.208142 O\n0.137582 0.794209 0.981370 O\n0.388713 0.939123 0.842073 O\n0.649085 0.203660 0.365483 O\n0.125769 0.891906 0.732894 O\n0.631790 0.783772 0.886489 O\n0.879259 0.119455 0.456795 O\n0.905774 0.729906 0.867876 O\n0.458206 0.178451 0.264211 O\n0.541794 0.821549 0.735789 O\n0.094226 0.270094 0.132124 O\n0.120741 0.880545 0.543205 O\n0.368210 0.216228 0.113511 O\n0.874231 0.108094 0.267106 O\n0.350915 0.796340 0.634517 O\n0.611287 0.060877 0.157927 O\n0.862418 0.205791 0.018630 O\n0.341939 0.564804 0.791858 O\n0.362418 0.794209 0.481370 O\n0.111287 0.939123 0.342073 O\n0.222343 0.392005 0.982289 O\n0.713869 0.461419 0.901387 O\n0.047287 0.462912 0.810501 O\n0.374231 0.891906 0.232894 O\n0.868210 0.783772 0.386489 O\n0.547287 0.537088 0.689499 O\n0.594226 0.729906 0.367876 O\n0.213869 0.538581 0.598613 O\n0.722343 0.607995 0.517711 O\n0.958206 0.821549 0.235789 O\n0.841939 0.435196 0.708142 O\n0.850915 0.203660 0.865483 O\n0.620741 0.119455 0.956795 O\n",
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],
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"volume_molar": 8.702306468471786,
"formula_full": "Li4 Sb4 P16 O48",
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"energy": -527.54826624,
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"spacegroup": 14
},
{
"id": "mp-1040099",
"created_at": "2022-09-04T14:45:08.281717Z",
"structure_string": "Li1 Mg30 B1 O32\n1.0\n8.541093 0.000000 0.000000\n0.000000 8.541093 0.000000\n0.000000 0.000000 8.405618\nLi Mg B O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254535 0.000000 0.253844 Mg\n0.254535 0.000000 0.746156 Mg\n0.745465 0.000000 0.253844 Mg\n0.745465 0.000000 0.746156 Mg\n0.250347 0.500000 0.249486 Mg\n0.250347 0.500000 0.750514 Mg\n0.749653 0.500000 0.249486 Mg\n0.749653 0.500000 0.750514 Mg\n0.000000 0.254535 0.253844 Mg\n0.000000 0.254535 0.746156 Mg\n0.500000 0.250347 0.249486 Mg\n0.500000 0.250347 0.750514 Mg\n0.000000 0.745465 0.253844 Mg\n0.000000 0.745465 0.746156 Mg\n0.500000 0.749653 0.249486 Mg\n0.500000 0.749653 0.750514 Mg\n0.245655 0.245655 0.000000 Mg\n0.248475 0.248475 0.500000 Mg\n0.754345 0.245655 0.000000 Mg\n0.751525 0.248475 0.500000 Mg\n0.245655 0.754345 0.000000 Mg\n0.248475 0.751525 0.500000 Mg\n0.754345 0.754345 0.000000 Mg\n0.751525 0.751525 0.500000 Mg\n0.000000 0.000000 0.500000 B\n0.000000 0.246037 0.000000 O\n0.000000 0.260073 0.500000 O\n0.500000 0.249661 0.000000 O\n0.500000 0.251386 0.500000 O\n0.000000 0.753963 0.000000 O\n0.000000 0.739927 0.500000 O\n0.500000 0.750339 0.000000 O\n0.500000 0.748614 0.500000 O\n0.247463 0.247463 0.250102 O\n0.247463 0.247463 0.749898 O\n0.752537 0.247463 0.250102 O\n0.752537 0.247463 0.749898 O\n0.247463 0.752537 0.250102 O\n0.247463 0.752537 0.749898 O\n0.752537 0.752537 0.250102 O\n0.752537 0.752537 0.749898 O\n0.000000 0.000000 0.333407 O\n0.000000 0.000000 0.666593 O\n0.500000 0.000000 0.248128 O\n0.500000 0.000000 0.751872 O\n0.000000 0.500000 0.248128 O\n0.000000 0.500000 0.751872 O\n0.500000 0.500000 0.249348 O\n0.500000 0.500000 0.750652 O\n0.246037 0.000000 0.000000 O\n0.260073 0.000000 0.500000 O\n0.753963 0.000000 0.000000 O\n0.739927 0.000000 0.500000 O\n0.249661 0.500000 0.000000 O\n0.251386 0.500000 0.500000 O\n0.750339 0.500000 0.000000 O\n0.748614 0.500000 0.500000 O\n",
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"formula_full": "Li1 Mg30 B1 O32",
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"updated_at": "2021-11-28T01:36:44.359000Z",
"spacegroup": 123
},
{
"id": "mp-1047356",
"created_at": "2022-09-04T14:39:49.126642Z",
"structure_string": "Ta2 F10\n1.0\n1.822090 -5.557753 0.000000\n1.822090 5.557753 0.000000\n0.000000 0.000000 8.404379\nTa F\n2 10\ndirect\n0.500000 0.500000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.515968 0.484032 0.250000 F\n0.484032 0.515968 0.750000 F\n0.928906 0.071094 0.590571 F\n0.071094 0.928906 0.409429 F\n0.661968 0.338032 0.930855 F\n0.338032 0.661968 0.069145 F\n0.338032 0.661968 0.430855 F\n0.661968 0.338032 0.569145 F\n0.928906 0.071094 0.909429 F\n0.071094 0.928906 0.090571 F\n",
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{
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"created_at": "2022-09-04T14:41:18.738049Z",
"structure_string": "Al16 Si16 Pb8 O64\n1.0\n13.233304 0.000000 0.000000\n0.000000 8.502704 0.000000\n0.000000 6.161242 13.138774\nAl Si Pb O\n16 16 8 64\ndirect\n0.424915 0.744856 0.366393 Al\n0.924915 0.255144 0.133607 Al\n0.575085 0.255144 0.633607 Al\n0.075085 0.744856 0.866393 Al\n0.932786 0.250122 0.867802 Al\n0.432786 0.749878 0.632198 Al\n0.067214 0.749878 0.132198 Al\n0.567214 0.250122 0.367802 Al\n0.372990 0.052569 0.918968 Al\n0.872990 0.947431 0.581032 Al\n0.627010 0.947431 0.081032 Al\n0.127010 0.052569 0.418968 Al\n0.866680 0.555231 0.421366 Al\n0.366680 0.444769 0.078634 Al\n0.133320 0.444769 0.578634 Al\n0.633320 0.555231 0.921366 Al\n0.425790 0.735794 0.860347 Si\n0.925790 0.264206 0.639653 Si\n0.574210 0.264206 0.139653 Si\n0.074210 0.735794 0.360347 Si\n0.926461 0.242640 0.358231 Si\n0.426461 0.757360 0.141769 Si\n0.073539 0.757360 0.641769 Si\n0.573539 0.242640 0.858231 Si\n0.361265 0.058693 0.427807 Si\n0.861265 0.941307 0.072193 Si\n0.638735 0.941307 0.572193 Si\n0.138735 0.058693 0.927807 Si\n0.866376 0.566803 0.925132 Si\n0.366376 0.433197 0.574868 Si\n0.133624 0.433197 0.074868 Si\n0.633624 0.566803 0.425132 Si\n0.249804 0.475163 0.825669 Pb\n0.749804 0.524837 0.674331 Pb\n0.750196 0.524837 0.174331 Pb\n0.250196 0.475163 0.325669 Pb\n0.732635 0.986946 0.318498 Pb\n0.232635 0.013054 0.181502 Pb\n0.267365 0.013054 0.681502 Pb\n0.767365 0.986946 0.818498 Pb\n0.378588 0.756844 0.248352 O\n0.878588 0.243156 0.251648 O\n0.621412 0.243156 0.751648 O\n0.121412 0.756844 0.748352 O\n0.888744 0.264477 0.748736 O\n0.388744 0.735523 0.751264 O\n0.111256 0.735523 0.251264 O\n0.611256 0.264477 0.248736 O\n0.248445 0.150698 0.400007 O\n0.748445 0.849302 0.099993 O\n0.751555 0.849302 0.599993 O\n0.251555 0.150698 0.900007 O\n0.753512 0.658653 0.893120 O\n0.253512 0.341347 0.606880 O\n0.246488 0.341347 0.106880 O\n0.746488 0.658653 0.393120 O\n0.376168 0.931291 0.371557 O\n0.876168 0.068709 0.128443 O\n0.623832 0.068709 0.628443 O\n0.123832 0.931291 0.871557 O\n0.885119 0.438208 0.870542 O\n0.385119 0.561792 0.629458 O\n0.114881 0.561792 0.129458 O\n0.614881 0.438208 0.370542 O\n0.377378 0.918116 0.853544 O\n0.877378 0.081884 0.646456 O\n0.622622 0.081884 0.146456 O\n0.122622 0.918116 0.353544 O\n0.880384 0.419431 0.359580 O\n0.380384 0.580569 0.140420 O\n0.119616 0.580569 0.640420 O\n0.619616 0.419431 0.859580 O\n0.555987 0.731267 0.385046 O\n0.055987 0.268733 0.114954 O\n0.444013 0.268733 0.614954 O\n0.944013 0.731267 0.885046 O\n0.062261 0.224318 0.887813 O\n0.562261 0.775682 0.612187 O\n0.937739 0.775682 0.112187 O\n0.437739 0.224318 0.387813 O\n0.546588 0.726326 0.877309 O\n0.046588 0.273674 0.622691 O\n0.453412 0.273674 0.122691 O\n0.953412 0.726326 0.377309 O\n0.049448 0.236164 0.361216 O\n0.549448 0.763836 0.138784 O\n0.950552 0.763836 0.638784 O\n0.450552 0.236164 0.861216 O\n0.367115 0.545180 0.449912 O\n0.867115 0.454820 0.050088 O\n0.632885 0.454820 0.550088 O\n0.132885 0.545180 0.949912 O\n0.867537 0.055651 0.947444 O\n0.367537 0.944349 0.552556 O\n0.132463 0.944349 0.052556 O\n0.632463 0.055651 0.447444 O\n0.368480 0.562293 0.944315 O\n0.868480 0.437707 0.555685 O\n0.631520 0.437707 0.055685 O\n0.131520 0.562293 0.444315 O\n0.882066 0.064997 0.449044 O\n0.382066 0.935003 0.050956 O\n0.117934 0.935003 0.550956 O\n0.617934 0.064997 0.949044 O\n",
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{
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{
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{
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