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{
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"results": [
{
"id": "mp-24397",
"created_at": "2022-09-04T14:41:24.070765Z",
"structure_string": "Mg4 H32 S4 O32\n1.0\n13.646226 0.000000 0.000000\n0.000000 6.009445 0.000000\n0.000000 5.912390 7.933132\nMg H S O\n4 32 4 32\ndirect\n0.104243 0.849152 0.222546 Mg\n0.604243 0.150848 0.277454 Mg\n0.895757 0.150848 0.777454 Mg\n0.395757 0.849152 0.722546 Mg\n0.308130 0.854076 0.226274 H\n0.808130 0.145924 0.273726 H\n0.691870 0.145924 0.773726 H\n0.191870 0.854076 0.726274 H\n0.234746 0.042714 0.776730 H\n0.734746 0.957286 0.723270 H\n0.765254 0.957286 0.223270 H\n0.265254 0.042714 0.276730 H\n0.598620 0.633000 0.944425 H\n0.098620 0.367000 0.555575 H\n0.314584 0.341821 0.957344 H\n0.814584 0.658179 0.542656 H\n0.685416 0.658179 0.042656 H\n0.185416 0.341821 0.457344 H\n0.406860 0.635773 0.542000 H\n0.906860 0.364227 0.958000 H\n0.593140 0.364227 0.458000 H\n0.093140 0.635773 0.042000 H\n0.309113 0.536135 0.650564 H\n0.809113 0.463865 0.849436 H\n0.690887 0.463865 0.349436 H\n0.190887 0.536135 0.150564 H\n0.480259 0.131469 0.827523 H\n0.980259 0.868531 0.672477 H\n0.519741 0.868531 0.172477 H\n0.019741 0.131469 0.327523 H\n0.415810 0.890242 0.980999 H\n0.915810 0.109758 0.519001 H\n0.584190 0.109758 0.019001 H\n0.084190 0.890242 0.480999 H\n0.401380 0.367000 0.055575 H\n0.901380 0.633000 0.444425 H\n0.107733 0.373338 0.821845 S\n0.607733 0.626662 0.678155 S\n0.892267 0.626662 0.178155 S\n0.392267 0.373338 0.321845 S\n0.127483 0.450475 0.443145 O\n0.627483 0.549525 0.056855 O\n0.872517 0.549525 0.556855 O\n0.372517 0.450475 0.943145 O\n0.857295 0.311787 0.910587 O\n0.749921 0.039134 0.282434 O\n0.750079 0.039134 0.782434 O\n0.250079 0.960866 0.717566 O\n0.642705 0.311787 0.410587 O\n0.142705 0.688213 0.089413 O\n0.425117 0.002559 0.857922 O\n0.925117 0.997441 0.642078 O\n0.574883 0.997441 0.142078 O\n0.074883 0.002559 0.357922 O\n0.287607 0.315712 0.313712 O\n0.787607 0.684288 0.186288 O\n0.712393 0.684288 0.686288 O\n0.212393 0.315712 0.813712 O\n0.407888 0.682492 0.215809 O\n0.907888 0.317508 0.284191 O\n0.592112 0.317508 0.784191 O\n0.092112 0.682492 0.715809 O\n0.423399 0.250954 0.497669 O\n0.923399 0.749046 0.002331 O\n0.576601 0.749046 0.502331 O\n0.076601 0.250954 0.997669 O\n0.453596 0.255002 0.253144 O\n0.953596 0.744998 0.246856 O\n0.546404 0.744998 0.746856 O\n0.046404 0.255002 0.753144 O\n0.357295 0.688213 0.589413 O\n0.249921 0.960866 0.217566 O\n",
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"elements": [
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"formula_full": "Mg4 H32 S4 O32",
"formula_reduced": "MgH8SO8",
"formula_anonymous": "ABC8D8",
"energy": -408.79243885,
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"spacegroup": 14
},
{
"id": "mp-1209141",
"created_at": "2022-09-04T14:40:22.682996Z",
"structure_string": "Rb6 Zr6 F30\n1.0\n7.304954 0.016903 2.588967\n3.163348 7.902312 2.423963\n0.034006 0.015273 11.154470\nRb Zr F\n6 6 30\ndirect\n0.723697 0.676058 0.079888 Rb\n0.276303 0.323942 0.920112 Rb\n0.215929 0.005844 0.266495 Rb\n0.784071 0.994156 0.733505 Rb\n0.243771 0.655675 0.571807 Rb\n0.756229 0.344325 0.428193 Rb\n0.265838 0.159072 0.580797 Zr\n0.734162 0.840928 0.419203 Zr\n0.760633 0.167036 0.067770 Zr\n0.239367 0.832964 0.932230 Zr\n0.217967 0.529544 0.244324 Zr\n0.782033 0.470456 0.755676 Zr\n0.105030 0.381821 0.697650 F\n0.894970 0.618179 0.302350 F\n0.177747 0.370554 0.438562 F\n0.822253 0.629446 0.561438 F\n0.470138 0.220754 0.611520 F\n0.529862 0.779246 0.388480 F\n0.087943 0.055390 0.033513 F\n0.912057 0.944610 0.966487 F\n0.314584 0.738769 0.120915 F\n0.685416 0.261231 0.879085 F\n0.074356 0.732873 0.359215 F\n0.925644 0.267127 0.640785 F\n0.165514 0.016628 0.526586 F\n0.834486 0.983372 0.473414 F\n0.156369 0.342219 0.217727 F\n0.843631 0.657781 0.782273 F\n0.491652 0.385542 0.115122 F\n0.508348 0.614458 0.884878 F\n0.432839 0.510040 0.319107 F\n0.567161 0.489960 0.680893 F\n0.544529 0.079763 0.096198 F\n0.455471 0.920237 0.903802 F\n0.492311 0.095908 0.400364 F\n0.507689 0.904092 0.599636 F\n0.189071 0.049159 0.775185 F\n0.810929 0.950841 0.224815 F\n0.813696 0.252683 0.195736 F\n0.186304 0.747317 0.804264 F\n0.133834 0.629986 0.057482 F\n0.866166 0.370014 0.942518 F\n",
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],
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"density": 4.213211096022486,
"density_atomic": 0.06537299666177632,
"volume": 642.4671063695854,
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"formula_full": "Rb6 Zr6 F30",
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"formula_anonymous": "ABC5",
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{
"id": "mp-561008",
"created_at": "2022-09-04T14:46:02.544865Z",
"structure_string": "Ca8 P16 O48\n1.0\n10.155995 6.939334 0.000000\n-10.155995 6.939334 0.000000\n0.000000 0.562569 6.822845\nCa P O\n8 16 48\ndirect\n0.139918 0.520487 0.684765 Ca\n0.640923 0.529370 0.195704 Ca\n0.151614 0.020653 0.189142 Ca\n0.647682 0.029229 0.700533 Ca\n0.029229 0.647682 0.200533 Ca\n0.020653 0.151614 0.689142 Ca\n0.529370 0.640923 0.695704 Ca\n0.520487 0.139918 0.184765 Ca\n0.457295 0.348744 0.504891 P\n0.955795 0.357711 0.022443 P\n0.000014 0.862972 0.567017 P\n0.821278 0.681581 0.822905 P\n0.839567 0.499405 0.538144 P\n0.327315 0.710849 0.359397 P\n0.862972 0.000014 0.067017 P\n0.215302 0.326010 0.364708 P\n0.179396 0.827294 0.835454 P\n0.681581 0.821278 0.322905 P\n0.326010 0.215302 0.864708 P\n0.827294 0.179396 0.335454 P\n0.357711 0.955795 0.522443 P\n0.710849 0.327315 0.859397 P\n0.348744 0.457295 0.004891 P\n0.499405 0.839567 0.038144 P\n0.287887 0.008299 0.403031 O\n0.671277 0.903281 0.469986 O\n0.399154 0.655494 0.466143 O\n0.347681 0.833847 0.444370 O\n0.668436 0.699172 0.396068 O\n0.848150 0.166732 0.549317 O\n0.375020 0.748760 0.132471 O\n0.640449 0.198134 0.860416 O\n0.833847 0.347681 0.944370 O\n0.336414 0.363711 0.467307 O\n0.748760 0.375020 0.632471 O\n0.198134 0.640449 0.360416 O\n0.014207 0.787000 0.410930 O\n0.350972 0.130757 0.005194 O\n0.422109 0.248103 0.680403 O\n0.655494 0.399154 0.966143 O\n0.166732 0.848150 0.049317 O\n0.012777 0.985750 0.499399 O\n0.248103 0.422109 0.180403 O\n0.304495 0.920359 0.745708 O\n0.030961 0.485328 0.025608 O\n0.514604 0.810528 0.829792 O\n0.091931 0.876765 0.730021 O\n0.804681 0.876032 0.192372 O\n0.008299 0.287887 0.903031 O\n0.699172 0.668436 0.896068 O\n0.876765 0.091931 0.230021 O\n0.985750 0.012777 0.999399 O\n0.920359 0.304495 0.245708 O\n0.363711 0.336414 0.967307 O\n0.164441 0.705750 0.788028 O\n0.803491 0.589245 0.659779 O\n0.178077 0.204648 0.298399 O\n0.505698 0.306532 0.331180 O\n0.810528 0.514604 0.329792 O\n0.589245 0.803491 0.159779 O\n0.306532 0.505698 0.831180 O\n0.204648 0.178077 0.798399 O\n0.876032 0.804681 0.692372 O\n0.535488 0.466239 0.565434 O\n0.466239 0.535488 0.065434 O\n0.787000 0.014207 0.910930 O\n0.485328 0.030961 0.525608 O\n0.130757 0.350972 0.505194 O\n0.964385 0.512680 0.560694 O\n0.705750 0.164441 0.288028 O\n0.903281 0.671277 0.969986 O\n0.512680 0.964385 0.060694 O\n",
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"elements": [
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"volume": 961.6914843335891,
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"formula_full": "Ca8 P16 O48",
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{
"id": "mp-1213969",
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"structure_string": "Ca2 Hf2 Tl2 F14\n1.0\n-3.478641 -5.650403 0.000000\n-3.478641 5.650403 0.000000\n0.000000 0.000000 -8.604349\nCa Hf Tl F\n2 2 2 14\ndirect\n0.309485 0.690515 0.750000 Ca\n0.690515 0.309485 0.250000 Ca\n0.693057 0.306943 0.750000 Hf\n0.306943 0.693057 0.250000 Hf\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.351133 0.066261 0.750000 F\n0.648867 0.933739 0.250000 F\n0.933739 0.648867 0.750000 F\n0.066261 0.351133 0.250000 F\n0.512351 0.487649 0.750000 F\n0.487649 0.512351 0.250000 F\n0.702798 0.297202 0.984147 F\n0.297202 0.702798 0.015853 F\n0.297202 0.702798 0.484147 F\n0.702798 0.297202 0.515853 F\n0.671175 0.979487 0.750000 F\n0.328825 0.020513 0.250000 F\n0.020513 0.328825 0.750000 F\n0.979487 0.671175 0.250000 F\n",
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{
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{
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"structure_string": "Li4 C4 N4\n1.0\n3.732064 0.000000 0.000000\n0.000000 6.595534 0.000000\n0.000000 0.000000 8.818006\nLi C N\n4 4 4\ndirect\n0.250000 0.474796 0.375361 Li\n0.750000 0.525204 0.624639 Li\n0.750000 0.974796 0.124639 Li\n0.250000 0.025204 0.875361 Li\n0.250000 0.261811 0.192987 C\n0.750000 0.738189 0.807013 C\n0.750000 0.761811 0.307013 C\n0.250000 0.238189 0.692987 C\n0.250000 0.141678 0.093922 N\n0.750000 0.858322 0.906078 N\n0.750000 0.641678 0.406078 N\n0.250000 0.358322 0.593922 N\n",
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{
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"structure_string": "Si3 O6\n1.0\n2.553102 -4.422103 0.000000\n2.553102 4.422103 0.000000\n0.000000 0.000000 5.590482\nSi O\n3 6\ndirect\n0.000000 0.500000 0.666667 Si\n0.500000 0.500000 0.333333 Si\n0.500000 0.000000 0.000000 Si\n0.791719 0.583439 0.500000 O\n0.208281 0.791719 0.833333 O\n0.583439 0.791719 0.166667 O\n0.208281 0.416561 0.500000 O\n0.791719 0.208281 0.833333 O\n0.416561 0.208281 0.166667 O\n",
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{
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