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{
"id": "mp-3925",
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{
"id": "mp-1223700",
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"structure_string": "Mg1 Al8 Fe3 Si8 H16 O40\n1.0\n10.212879 6.938491 0.000000\n-10.212879 6.938491 0.000000\n0.000000 0.004905 5.177627\nMg Al Fe Si H O\n1 8 3 8 16 40\ndirect\n0.124086 0.875914 0.000000 Mg\n0.461381 0.538619 0.500000 Al\n0.962325 0.037675 0.000000 Al\n0.538655 0.461345 0.000000 Al\n0.039312 0.960688 0.500000 Al\n0.440869 0.942188 0.000845 Al\n0.557340 0.057323 0.500247 Al\n0.942677 0.442660 0.499753 Al\n0.057812 0.559131 0.999155 Al\n0.374684 0.625316 0.000000 Fe\n0.874862 0.125138 0.500000 Fe\n0.625340 0.374660 0.500000 Fe\n0.572828 0.814353 0.334244 Si\n0.685754 0.926912 0.834329 Si\n0.814769 0.573946 0.833658 Si\n0.927935 0.686313 0.332963 Si\n0.426054 0.185231 0.166342 Si\n0.313687 0.072065 0.667037 Si\n0.185647 0.427172 0.665756 Si\n0.073088 0.314246 0.165671 Si\n0.597947 0.676746 0.837006 H\n0.823289 0.901979 0.337635 H\n0.676764 0.598059 0.336212 H\n0.902040 0.823137 0.834745 H\n0.401941 0.323236 0.663788 H\n0.176863 0.097960 0.165255 H\n0.323254 0.402053 0.162994 H\n0.098021 0.176711 0.662365 H\n0.209510 0.614588 0.310781 H\n0.885618 0.290359 0.811744 H\n0.614278 0.209502 0.811214 H\n0.288159 0.885396 0.306536 H\n0.790498 0.385722 0.188786 H\n0.114604 0.711841 0.693464 H\n0.385412 0.790490 0.689219 H\n0.709641 0.114382 0.188256 H\n0.409236 0.792538 0.868182 O\n0.707526 0.090124 0.366996 O\n0.792532 0.409784 0.367551 O\n0.089105 0.710150 0.871318 O\n0.590216 0.207468 0.632449 O\n0.289850 0.910895 0.128682 O\n0.207462 0.590764 0.131818 O\n0.909876 0.292474 0.633004 O\n0.503781 0.905323 0.318827 O\n0.594570 0.995589 0.819044 O\n0.905859 0.505134 0.818278 O\n0.995525 0.594231 0.318806 O\n0.494866 0.094141 0.181722 O\n0.405769 0.004475 0.681194 O\n0.094677 0.496219 0.681173 O\n0.004411 0.405430 0.180956 O\n0.534451 0.601322 0.823499 O\n0.899305 0.964668 0.323652 O\n0.601400 0.534437 0.323419 O\n0.967454 0.897264 0.823455 O\n0.465563 0.398600 0.676581 O\n0.102736 0.032546 0.176545 O\n0.398678 0.465549 0.176501 O\n0.035332 0.100695 0.676348 O\n0.657374 0.833342 0.076175 O\n0.666470 0.842682 0.575745 O\n0.835212 0.659523 0.576354 O\n0.842322 0.666689 0.076711 O\n0.340477 0.164788 0.423646 O\n0.333311 0.157678 0.923289 O\n0.166658 0.342626 0.923825 O\n0.157318 0.333530 0.424255 O\n0.480657 0.681611 0.349653 O\n0.819073 0.018243 0.849174 O\n0.681995 0.481462 0.848490 O\n0.022100 0.818776 0.340626 O\n0.518538 0.318005 0.151510 O\n0.181224 0.977900 0.659374 O\n0.318389 0.519343 0.650347 O\n0.981757 0.180927 0.150826 O\n",
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"formula_full": "Mg1 Al8 Fe3 Si8 H16 O40",
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"energy": -546.26832814,
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{
"id": "mp-1022596",
"created_at": "2022-09-04T14:42:46.565117Z",
"structure_string": "Mg12 Zn2 W2\n1.0\n4.841118 0.000000 0.000000\n0.000000 6.121076 0.000000\n0.000000 0.000000 10.560805\nMg Zn W\n12 2 2\ndirect\n0.000000 0.763595 0.590562 Mg\n0.000000 0.236405 0.590562 Mg\n0.000000 0.000000 0.334372 Mg\n0.500000 0.743674 0.416553 Mg\n0.500000 0.256326 0.416553 Mg\n0.500000 0.000000 0.166299 Mg\n0.000000 0.263595 0.090562 Mg\n0.000000 0.736405 0.090562 Mg\n0.000000 0.500000 0.834372 Mg\n0.500000 0.243674 0.916553 Mg\n0.500000 0.756326 0.916553 Mg\n0.500000 0.500000 0.666299 Mg\n0.000000 0.000000 0.815155 Zn\n0.000000 0.500000 0.315155 Zn\n0.500000 0.000000 0.669943 W\n0.500000 0.500000 0.169943 W\n",
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{
"id": "mp-774925",
"created_at": "2022-09-04T14:42:46.566953Z",
"structure_string": "Rb3 Li3 Mn9 O12\n1.0\n6.296757 0.000000 0.000000\n-1.578307 7.963958 0.000000\n-1.490085 -1.266796 7.881904\nRb Li Mn O\n3 3 9 12\ndirect\n0.003630 0.330240 0.333844 Rb\n0.000453 0.991707 0.000832 Rb\n0.993959 0.670239 0.672822 Rb\n0.438137 0.148522 0.329720 Li\n0.559098 0.848978 0.669483 Li\n0.816250 0.581171 0.027180 Li\n0.553864 0.189754 0.006589 Mn\n0.795417 0.233979 0.687734 Mn\n0.197121 0.085302 0.636545 Mn\n0.175196 0.424808 0.974068 Mn\n0.454136 0.491729 0.672577 Mn\n0.556234 0.513235 0.329485 Mn\n0.800302 0.911142 0.361551 Mn\n0.188546 0.757532 0.308629 Mn\n0.461203 0.813591 0.995104 Mn\n0.829315 0.329894 0.946438 O\n0.616157 0.022554 0.188341 O\n0.613579 0.349890 0.518268 O\n0.633521 0.683241 0.859158 O\n0.161264 0.007602 0.378656 O\n0.164625 0.338408 0.714903 O\n0.834744 0.662164 0.282360 O\n0.837564 0.990744 0.620572 O\n0.366778 0.314232 0.143080 O\n0.384048 0.648535 0.478743 O\n0.389030 0.983488 0.812451 O\n0.175831 0.677323 0.050868 O\n",
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"formula_full": "Rb3 Li3 Mn9 O12",
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{
"id": "mp-541136",
"created_at": "2022-09-04T14:42:46.560567Z",
"structure_string": "K4 Cr4 Cu4 F24\n1.0\n10.187618 0.000000 0.000000\n0.000000 6.845037 0.000000\n0.000000 0.533923 7.409921\nK Cr Cu F\n4 4 4 24\ndirect\n0.115299 0.501867 0.242696 K\n0.615299 0.998133 0.757304 K\n0.884701 0.498133 0.757304 K\n0.384701 0.001867 0.242696 K\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.732763 0.181241 0.254978 Cu\n0.232763 0.318759 0.745022 Cu\n0.267237 0.818759 0.745022 Cu\n0.767237 0.681241 0.254978 Cu\n0.834979 0.135200 0.973163 F\n0.334979 0.364800 0.026837 F\n0.165021 0.864800 0.026837 F\n0.665021 0.635200 0.973163 F\n0.180516 0.900771 0.511970 F\n0.680516 0.599229 0.488030 F\n0.819484 0.099229 0.488030 F\n0.319484 0.400771 0.511970 F\n0.669527 0.920007 0.244137 F\n0.169527 0.579993 0.755863 F\n0.330473 0.079993 0.755863 F\n0.830473 0.420007 0.244137 F\n0.977432 0.913285 0.755046 F\n0.477432 0.586715 0.244954 F\n0.022568 0.086715 0.244954 F\n0.522568 0.413285 0.755046 F\n0.910616 0.755597 0.077086 F\n0.410616 0.744403 0.922914 F\n0.089384 0.244403 0.922914 F\n0.589384 0.255597 0.077086 F\n0.441711 0.756591 0.554033 F\n0.941711 0.743409 0.445967 F\n0.558289 0.243409 0.445967 F\n0.058289 0.256591 0.554033 F\n",
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{
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"structure_string": "Tb4 Ni2 B20\n1.0\n0.000000 0.000000 4.146948\n5.559160 0.000000 0.000000\n0.000000 11.100667 0.000000\nTb Ni B\n4 2 20\ndirect\n0.500000 0.193284 0.363633 Tb\n0.500000 0.806716 0.636367 Tb\n0.500000 0.306716 0.863633 Tb\n0.500000 0.693284 0.136367 Tb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.375110 0.041013 B\n0.000000 0.624890 0.958987 B\n0.000000 0.124890 0.541013 B\n0.000000 0.875110 0.458987 B\n0.000000 0.346241 0.197361 B\n0.000000 0.653759 0.802639 B\n0.000000 0.153759 0.697361 B\n0.000000 0.846241 0.302639 B\n0.000000 0.035650 0.188007 B\n0.000000 0.964350 0.811993 B\n0.000000 0.464350 0.688007 B\n0.000000 0.535650 0.311993 B\n0.300888 0.203539 0.113865 B\n0.699112 0.796461 0.886135 B\n0.300888 0.796461 0.886135 B\n0.699112 0.296461 0.613865 B\n0.699112 0.203539 0.113865 B\n0.300888 0.703539 0.386135 B\n0.699112 0.703539 0.386135 B\n0.300888 0.296461 0.613865 B\n",
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{
"id": "mp-1078167",
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"structure_string": "Pr1 In5 Co1\n1.0\n4.650666 0.000000 0.000000\n0.000000 4.650666 0.000000\n0.000000 0.000000 7.602368\nPr In Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.690736 In\n0.000000 0.500000 0.690736 In\n0.500000 0.000000 0.309264 In\n0.000000 0.500000 0.309264 In\n0.000000 0.000000 0.500000 Co\n",
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{
"id": "mp-849333",
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"structure_string": "Li5 Mn6 B6 O18\n1.0\n5.267622 0.000000 0.000000\n-0.138788 8.294536 0.000000\n-2.542523 -2.244953 8.712067\nLi Mn B O\n5 6 6 18\ndirect\n0.981435 0.368289 0.290530 Li\n0.332321 0.958384 0.360514 Li\n0.667399 0.041723 0.640198 Li\n0.000746 0.623003 0.694684 Li\n0.330004 0.704633 0.971423 Li\n0.779634 0.029715 0.207781 Mn\n0.875654 0.630018 0.115699 Mn\n0.549379 0.304050 0.450201 Mn\n0.440203 0.692884 0.542286 Mn\n0.123245 0.356587 0.890981 Mn\n0.227366 0.973876 0.788945 Mn\n0.229565 0.144767 0.111372 B\n0.440167 0.518429 0.226165 B\n0.106409 0.183369 0.557048 B\n0.889739 0.816129 0.441183 B\n0.564810 0.491598 0.777854 B\n0.775992 0.848290 0.888406 B\n0.981276 0.174461 0.121956 O\n0.689589 0.818917 0.010907 O\n0.259923 0.564238 0.104278 O\n0.414154 0.095591 0.229906 O\n0.700558 0.507283 0.234765 O\n0.341906 0.482428 0.342011 O\n0.925983 0.232788 0.438355 O\n0.974856 0.842618 0.317186 O\n0.359296 0.151867 0.549594 O\n0.637435 0.847991 0.449562 O\n0.022421 0.155829 0.680509 O\n0.071494 0.769841 0.561684 O\n0.638950 0.514057 0.649537 O\n0.309576 0.511744 0.786131 O\n0.595309 0.897087 0.770002 O\n0.763904 0.459280 0.897104 O\n0.304846 0.170644 0.986404 O\n0.029543 0.818673 0.882270 O\n",
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{
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},
{
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"structure_string": "K4 Mg2 H24 Se4 O28\n1.0\n12.582426 0.000000 0.000000\n0.000000 6.320473 0.000000\n0.000000 2.289505 9.035942\nK Mg H Se O\n4 2 24 4 28\ndirect\n0.159360 0.659336 0.634758 K\n0.659360 0.340664 0.865242 K\n0.840640 0.340664 0.365242 K\n0.340640 0.659336 0.134758 K\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.416178 0.681313 0.706905 H\n0.916178 0.318687 0.793095 H\n0.583822 0.318687 0.293095 H\n0.083822 0.681313 0.206905 H\n0.374942 0.904371 0.740409 H\n0.874942 0.095629 0.759591 H\n0.625058 0.095629 0.259591 H\n0.125058 0.904371 0.240409 H\n0.404089 0.061213 0.236339 H\n0.904089 0.938787 0.263661 H\n0.595911 0.938787 0.763661 H\n0.095911 0.061213 0.736339 H\n0.317759 0.985722 0.362818 H\n0.817759 0.014278 0.137182 H\n0.682241 0.014278 0.637182 H\n0.182241 0.985722 0.862818 H\n0.555307 0.662743 0.401178 H\n0.055307 0.337257 0.098822 H\n0.444693 0.337257 0.598822 H\n0.944693 0.662743 0.901178 H\n0.639603 0.657053 0.530237 H\n0.139603 0.342947 0.969763 H\n0.360397 0.342947 0.469763 H\n0.860397 0.657053 0.030237 H\n0.362650 0.272665 0.911432 Se\n0.862650 0.727335 0.588568 Se\n0.637350 0.727335 0.088568 Se\n0.137350 0.272665 0.411432 Se\n0.259006 0.442599 0.904983 O\n0.759006 0.557401 0.595017 O\n0.740994 0.557401 0.095017 O\n0.240994 0.442599 0.404983 O\n0.424933 0.241877 0.073277 O\n0.924933 0.758123 0.426723 O\n0.575067 0.758123 0.926723 O\n0.075067 0.241877 0.573277 O\n0.447057 0.390704 0.775225 O\n0.947057 0.609296 0.724775 O\n0.552943 0.609296 0.224775 O\n0.052943 0.390704 0.275225 O\n0.320916 0.029271 0.888427 O\n0.820916 0.970729 0.611573 O\n0.679084 0.970729 0.111573 O\n0.179084 0.029271 0.388427 O\n0.391882 0.832413 0.660195 O\n0.891882 0.167587 0.839805 O\n0.608118 0.167587 0.339805 O\n0.108118 0.832413 0.160195 O\n0.391673 0.958297 0.335663 O\n0.891673 0.041703 0.164337 O\n0.608327 0.041703 0.664337 O\n0.108327 0.958297 0.835663 O\n0.566563 0.706207 0.495083 O\n0.066563 0.293793 0.004917 O\n0.433437 0.293793 0.504917 O\n0.933437 0.706207 0.995083 O\n",
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],
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"formula_full": "K4 Mg2 H24 Se4 O28",
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},
{
"id": "mp-771124",
"created_at": "2022-09-04T14:42:46.567939Z",
"structure_string": "Li14 Fe6 O16\n1.0\n7.686104 7.209213 0.182794\n-2.775341 7.237608 0.024619\n0.299249 -1.852108 5.223833\nLi Fe O\n14 6 16\ndirect\n0.066627 0.883565 0.715201 Li\n0.053652 0.432248 0.682879 Li\n0.334395 0.797378 0.856373 Li\n0.277645 0.452161 0.532449 Li\n0.438961 0.639662 0.419220 Li\n0.220373 0.032478 0.539950 Li\n0.516156 0.936858 0.715984 Li\n0.483844 0.063142 0.284016 Li\n0.779627 0.967522 0.460050 Li\n0.561039 0.360338 0.580780 Li\n0.722355 0.547839 0.467551 Li\n0.665605 0.202622 0.143627 Li\n0.946348 0.567752 0.317121 Li\n0.933373 0.116435 0.284799 Li\n0.145795 0.726096 0.191815 Fe\n0.161936 0.171119 0.052388 Fe\n0.378200 0.309878 0.940113 Fe\n0.621800 0.690122 0.059887 Fe\n0.838064 0.828881 0.947612 Fe\n0.854205 0.273904 0.808185 Fe\n0.154590 0.936512 0.090333 O\n0.236992 0.748499 0.513779 O\n0.046660 0.186204 0.733751 O\n0.124155 0.363991 0.350673 O\n0.203136 0.510039 0.899947 O\n0.341037 0.071276 0.923526 O\n0.539847 0.785696 0.367608 O\n0.518140 0.631751 0.764352 O\n0.481860 0.368249 0.235648 O\n0.460153 0.214304 0.632392 O\n0.658963 0.928724 0.076474 O\n0.796864 0.489961 0.100053 O\n0.875845 0.636009 0.649327 O\n0.953340 0.813796 0.266249 O\n0.763008 0.251501 0.486221 O\n0.845410 0.063488 0.909667 O\n",
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},
{
"id": "mp-753841",
"created_at": "2022-09-04T14:42:45.414649Z",
"structure_string": "Mg8 V5 O16\n1.0\n2.986308 5.249741 0.000000\n-2.986308 5.249741 0.000000\n0.000000 3.356501 9.621387\nMg V O\n8 5 16\ndirect\n0.686186 0.686186 0.926894 Mg\n0.500000 0.500000 0.500000 Mg\n0.747028 0.747028 0.247290 Mg\n0.252972 0.252972 0.752710 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.313814 0.313814 0.073106 Mg\n0.738442 0.250638 0.754688 V\n0.250638 0.738442 0.754688 V\n0.000000 0.000000 0.000000 V\n0.749362 0.261558 0.245312 V\n0.261558 0.749362 0.245312 V\n0.887972 0.887972 0.868689 O\n0.882399 0.341584 0.871692 O\n0.380382 0.380382 0.863586 O\n0.615107 0.615107 0.627859 O\n0.341584 0.882399 0.871692 O\n0.858570 0.374130 0.374949 O\n0.374130 0.858570 0.374949 O\n0.123818 0.123818 0.623737 O\n0.876182 0.876182 0.376263 O\n0.625870 0.141430 0.625051 O\n0.658416 0.117601 0.128308 O\n0.141430 0.625870 0.625051 O\n0.384893 0.384893 0.372141 O\n0.619618 0.619618 0.136414 O\n0.117601 0.658416 0.128308 O\n0.112028 0.112028 0.131311 O\n",
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}
]
}