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{
"id": "mp-850996",
"created_at": "2022-09-04T14:41:48.607321Z",
"structure_string": "Fe8 O14 F2\n1.0\n5.521527 0.000000 0.000000\n1.614724 5.284535 0.000000\n0.645269 0.482355 8.855288\nFe O F\n8 14 2\ndirect\n0.113746 0.125252 0.381649 Fe\n0.372739 0.388006 0.118298 Fe\n0.491277 0.498635 0.497485 Fe\n0.261046 0.260916 0.751605 Fe\n0.768716 0.727009 0.248827 Fe\n0.629578 0.632336 0.875622 Fe\n0.861400 0.865704 0.616905 Fe\n0.001075 0.008524 0.010206 Fe\n0.066613 0.426812 0.250731 O\n0.182401 0.808542 0.502881 O\n0.277240 0.279529 0.528036 O\n0.526399 0.524224 0.278539 O\n0.785036 0.779891 0.032300 O\n0.474965 0.482229 0.714965 O\n0.223472 0.225070 0.971252 O\n0.712590 0.710913 0.466384 O\n0.970810 0.965114 0.229910 O\n0.559913 0.945113 0.750303 O\n0.796869 0.186088 0.506021 O\n0.312303 0.705236 0.993305 O\n0.941490 0.562536 0.750290 O\n0.695250 0.314397 0.996852 O\n0.447759 0.046928 0.250095 F\n0.027312 0.030994 0.777536 F\n",
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{
"id": "mp-770630",
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"structure_string": "Rb2 Li4 Cr4 B6 O18\n1.0\n5.295324 0.000000 0.000000\n0.000000 5.672682 0.000000\n0.000000 0.535257 12.920431\nRb Li Cr B O\n2 4 4 6 18\ndirect\n0.752797 0.000000 0.750000 Rb\n0.247203 0.000000 0.250000 Rb\n0.900578 0.511750 0.854165 Li\n0.900578 0.488250 0.645835 Li\n0.099422 0.511750 0.354165 Li\n0.099422 0.488250 0.145835 Li\n0.354454 0.733182 0.529066 Cr\n0.645546 0.733182 0.029066 Cr\n0.354454 0.266818 0.970934 Cr\n0.645546 0.266818 0.470934 Cr\n0.196533 0.784431 0.960199 B\n0.803467 0.784431 0.460199 B\n0.392553 0.500000 0.750000 B\n0.607447 0.500000 0.250000 B\n0.196533 0.215569 0.539801 B\n0.803467 0.215569 0.039801 B\n0.386958 0.929213 0.919657 O\n0.613042 0.929213 0.419657 O\n0.947211 0.806617 0.940014 O\n0.052789 0.806617 0.440014 O\n0.708297 0.608940 0.530866 O\n0.291703 0.608940 0.030866 O\n0.245576 0.592352 0.665955 O\n0.754424 0.592352 0.165955 O\n0.649254 0.500000 0.750000 O\n0.350746 0.500000 0.250000 O\n0.245576 0.407648 0.834045 O\n0.754424 0.407648 0.334045 O\n0.708297 0.391060 0.969134 O\n0.291703 0.391060 0.469134 O\n0.947211 0.193383 0.559986 O\n0.052789 0.193383 0.059986 O\n0.386958 0.070787 0.580343 O\n0.613042 0.070787 0.080343 O\n",
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"formula_full": "Rb2 Li4 Cr4 B6 O18",
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"spacegroup": 13
},
{
"id": "mp-1197314",
"created_at": "2022-09-04T14:41:36.840869Z",
"structure_string": "Si12 Bi4 H108 C40 Cl8\n1.0\n9.275581 0.000000 0.000000\n-0.343159 16.194200 0.000000\n-3.429635 -7.856763 14.722946\nSi Bi H C Cl\n12 4 108 40 8\ndirect\n0.054224 0.272232 0.212890 Si\n0.945776 0.727769 0.787110 Si\n0.800236 0.108401 0.169701 Si\n0.199764 0.891599 0.830299 Si\n0.766383 0.325780 0.294710 Si\n0.233617 0.674219 0.705290 Si\n0.374527 0.264151 0.740594 Si\n0.625473 0.735849 0.259406 Si\n0.706742 0.365062 0.847920 Si\n0.293258 0.634938 0.152080 Si\n0.645612 0.141282 0.716953 Si\n0.354388 0.858718 0.283047 Si\n0.020060 0.246752 0.395464 Bi\n0.979940 0.753248 0.604536 Bi\n0.598466 0.259997 0.604407 Bi\n0.401534 0.740003 0.395593 Bi\n0.161678 0.427496 0.353583 H\n0.838322 0.572504 0.646417 H\n0.264927 0.335584 0.354030 H\n0.735073 0.664416 0.645970 H\n0.284780 0.382944 0.281803 H\n0.715220 0.617056 0.718197 H\n0.216503 0.144379 0.185486 H\n0.783497 0.855621 0.814514 H\n0.084294 0.120249 0.083012 H\n0.915706 0.879751 0.916988 H\n0.239577 0.206841 0.124742 H\n0.760423 0.793159 0.875258 H\n0.898168 0.270467 0.074175 H\n0.101832 0.729533 0.925825 H\n0.922295 0.384927 0.167951 H\n0.077705 0.615073 0.832049 H\n0.069729 0.343872 0.113778 H\n0.930271 0.656128 0.886222 H\n0.670447 0.331521 0.149182 H\n0.329553 0.668479 0.850818 H\n0.550166 0.251782 0.159529 H\n0.449834 0.748218 0.840471 H\n0.549266 0.374471 0.223840 H\n0.450734 0.625529 0.776160 H\n0.946945 0.461664 0.421938 H\n0.053055 0.538336 0.578062 H\n0.926664 0.467841 0.318714 H\n0.073336 0.532159 0.681286 H\n0.784284 0.497735 0.378855 H\n0.215716 0.502265 0.621145 H\n0.599412 0.248954 0.350646 H\n0.400588 0.751046 0.649354 H\n0.743238 0.329241 0.443208 H\n0.256762 0.670759 0.556792 H\n0.595282 0.371576 0.397049 H\n0.404718 0.628424 0.602951 H\n0.639105 0.083586 0.261586 H\n0.360895 0.916414 0.738414 H\n0.540641 0.128597 0.191146 H\n0.459359 0.871403 0.808854 H\n0.572231 0.009936 0.142703 H\n0.427769 0.990064 0.857297 H\n0.017105 0.016461 0.143070 H\n0.982895 0.983539 0.856930 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H\n0.030297 0.588277 0.070922 H\n0.537281 0.392024 0.953423 H\n0.462719 0.607976 0.046577 H\n0.664556 0.313591 0.960589 H\n0.335444 0.686409 0.039411 H\n0.725198 0.435516 0.013847 H\n0.274802 0.564484 0.986153 H\n0.732745 0.482380 0.791597 H\n0.267255 0.517620 0.208403 H\n0.583231 0.501217 0.846452 H\n0.416769 0.498783 0.153548 H\n0.769558 0.534857 0.912102 H\n0.230442 0.465143 0.087898 H\n0.338335 0.134782 0.780111 H\n0.661665 0.865218 0.219889 H\n0.384991 0.245092 0.879943 H\n0.615009 0.754908 0.120057 H\n0.203182 0.212430 0.807865 H\n0.796818 0.787570 0.192135 H\n0.378986 0.430605 0.859370 H\n0.621014 0.569395 0.140630 H\n0.335636 0.419112 0.747512 H\n0.664364 0.580888 0.252488 H\n0.199827 0.379177 0.786982 H\n0.800173 0.620823 0.213018 H\n0.259491 0.227804 0.577294 H\n0.740509 0.772196 0.422706 H\n0.256096 0.123483 0.588210 H\n0.743904 0.876517 0.411790 H\n0.132289 0.205127 0.630833 H\n0.867711 0.794873 0.369167 H\n0.900170 0.232474 0.254565 C\n0.099830 0.767526 0.745435 C\n0.202814 0.362837 0.310802 C\n0.797186 0.637163 0.689198 C\n0.157123 0.175455 0.145222 C\n0.842877 0.824545 0.854778 C\n0.977096 0.322792 0.135299 C\n0.022904 0.677208 0.864701 C\n0.620677 0.319431 0.196871 C\n0.379323 0.680569 0.803129 C\n0.867355 0.449160 0.359207 C\n0.132645 0.550840 0.640793 C\n0.668623 0.316415 0.378569 C\n0.331377 0.683585 0.621431 C\n0.621455 0.081417 0.194924 C\n0.378545 0.918583 0.805076 C\n0.914938 0.012215 0.164828 C\n0.085062 0.987785 0.835172 C\n0.746062 0.095434 0.051184 C\n0.253938 0.904566 0.948816 C\n0.583041 0.262297 0.740868 C\n0.416959 0.737703 0.259132 C\n0.808874 0.118406 0.661703 C\n0.191126 0.881594 0.338297 C\n0.496093 0.041743 0.632582 C\n0.503907 0.958257 0.367418 C\n0.697875 0.127076 0.822425 C\n0.302125 0.872924 0.177575 C\n0.909955 0.349767 0.866254 C\n0.090045 0.650233 0.133746 C\n0.652127 0.377156 0.953430 C\n0.347873 0.622844 0.046570 C\n0.695433 0.481340 0.848376 C\n0.304567 0.518660 0.151624 C\n0.322046 0.208764 0.808885 C\n0.677954 0.791236 0.191115 C\n0.319070 0.385491 0.788705 C\n0.680930 0.614509 0.211295 C\n0.247265 0.198560 0.622849 C\n0.752735 0.801440 0.377151 C\n0.238404 0.157575 0.361188 Cl\n0.761596 0.842425 0.638812 Cl\n0.880617 0.119811 0.406881 Cl\n0.119383 0.880189 0.593119 Cl\n0.471222 0.395673 0.605120 Cl\n0.528778 0.604327 0.394880 Cl\n0.852189 0.346178 0.641895 Cl\n0.147811 0.653822 0.358105 Cl\n",
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"volume": 2211.542756048888,
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"formula_full": "Si12 Bi4 H108 C40 Cl8",
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{
"id": "mp-1197056",
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"structure_string": "Sm8 Ga16 Se32\n1.0\n0.000000 10.227075 10.485624\n6.642003 0.000000 10.485624\n6.642003 10.227075 0.000000\nSm Ga Se\n8 16 32\ndirect\n0.498665 0.498665 0.001335 Sm\n0.001335 0.001335 0.498665 Sm\n0.751335 0.751335 0.248665 Sm\n0.248665 0.248665 0.751335 Sm\n0.250000 0.250000 0.250000 Sm\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Sm\n0.488613 0.760069 0.732825 Ga\n0.760069 0.488613 0.018493 Ga\n0.732825 0.018493 0.488613 Ga\n0.018493 0.732825 0.760069 Ga\n0.761387 0.489931 0.517175 Ga\n0.489931 0.761387 0.231507 Ga\n0.517175 0.231507 0.761387 Ga\n0.231507 0.517175 0.489931 Ga\n0.983703 0.266088 0.664723 Ga\n0.266088 0.983703 0.085485 Ga\n0.664723 0.085485 0.983703 Ga\n0.085485 0.664723 0.266088 Ga\n0.266297 0.983912 0.585277 Ga\n0.983912 0.266297 0.164515 Ga\n0.585277 0.164515 0.266297 Ga\n0.164515 0.585277 0.983912 Ga\n0.455450 0.293080 0.981408 Se\n0.293080 0.455450 0.270062 Se\n0.981408 0.270062 0.455450 Se\n0.270062 0.981408 0.293080 Se\n0.794550 0.956920 0.268592 Se\n0.956920 0.794550 0.979938 Se\n0.268592 0.979938 0.794550 Se\n0.979938 0.268592 0.956920 Se\n0.484997 0.763393 0.942408 Se\n0.763393 0.484997 0.809201 Se\n0.942408 0.809201 0.484997 Se\n0.809201 0.942408 0.763393 Se\n0.765003 0.486607 0.307592 Se\n0.486607 0.765003 0.440799 Se\n0.307592 0.440799 0.765003 Se\n0.440799 0.307592 0.486607 Se\n0.031233 0.535279 0.717938 Se\n0.535279 0.031233 0.715550 Se\n0.717938 0.715550 0.031233 Se\n0.715550 0.717938 0.535279 Se\n0.218767 0.714721 0.532062 Se\n0.714721 0.218767 0.534450 Se\n0.532062 0.534450 0.218767 Se\n0.534450 0.532062 0.714721 Se\n0.221165 0.717669 0.029741 Se\n0.717669 0.221165 0.031426 Se\n0.029741 0.031426 0.221165 Se\n0.031426 0.029741 0.717669 Se\n0.028835 0.532331 0.220259 Se\n0.532331 0.028835 0.218574 Se\n0.220259 0.218574 0.028835 Se\n0.218574 0.220259 0.532331 Se\n",
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{
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"structure_string": "Cs4 Nb2 Ag2 Se8\n1.0\n0.000000 7.489775 12.980479\n3.088945 0.000000 12.980479\n3.088945 7.489775 0.000000\nCs Nb Ag Se\n4 2 2 8\ndirect\n0.929328 0.929328 0.570672 Cs\n0.570672 0.570672 0.929328 Cs\n0.679328 0.679328 0.320672 Cs\n0.320672 0.320672 0.679328 Cs\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Ag\n0.567836 0.322064 0.239173 Se\n0.870927 0.239173 0.322064 Se\n0.239173 0.870927 0.567836 Se\n0.322064 0.567836 0.870927 Se\n0.927936 0.682164 0.379073 Se\n0.379073 0.010827 0.927936 Se\n0.010827 0.379073 0.682164 Se\n0.682164 0.927936 0.010827 Se\n",
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{
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"structure_string": "Li3 V1 F6\n1.0\n5.495596 0.000000 0.000000\n2.747798 4.759325 0.000000\n2.747798 1.586442 4.487135\nLi V F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.248468 0.751532 0.248468 F\n0.751532 0.751532 0.248468 F\n0.751532 0.248468 0.751532 F\n0.751532 0.248468 0.248468 F\n0.248468 0.751532 0.751532 F\n0.248468 0.248468 0.751532 F\n",
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