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{
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{
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"structure_string": "Os8 Xe4 O24 F40\n1.0\n7.843870 0.000000 0.000000\n0.000000 11.837705 0.000000\n0.000000 0.000000 13.171691\nOs Xe O F\n8 4 24 40\ndirect\n0.008466 0.570415 0.176665 Os\n0.491534 0.929585 0.676665 Os\n0.991534 0.070415 0.823335 Os\n0.508466 0.429585 0.323335 Os\n0.991534 0.429585 0.823335 Os\n0.508466 0.070415 0.323335 Os\n0.008466 0.929585 0.176665 Os\n0.491534 0.570415 0.676665 Os\n0.633075 0.750000 0.052659 Xe\n0.866925 0.750000 0.552659 Xe\n0.366925 0.250000 0.947341 Xe\n0.133075 0.250000 0.447341 Xe\n0.926287 0.437477 0.161067 O\n0.573713 0.062523 0.661067 O\n0.073713 0.937477 0.838933 O\n0.426287 0.562523 0.338933 O\n0.073713 0.562523 0.838933 O\n0.426287 0.937477 0.338933 O\n0.926287 0.062523 0.161067 O\n0.573713 0.437477 0.661067 O\n0.048250 0.574845 0.304447 O\n0.451750 0.925155 0.804447 O\n0.951750 0.074845 0.695553 O\n0.548250 0.425155 0.195553 O\n0.951750 0.425155 0.695553 O\n0.548250 0.074845 0.195553 O\n0.048250 0.925155 0.304447 O\n0.451750 0.574845 0.804447 O\n0.208818 0.557098 0.125347 O\n0.291182 0.942902 0.625347 O\n0.791182 0.057098 0.874653 O\n0.708818 0.442902 0.374653 O\n0.791182 0.442902 0.874653 O\n0.708818 0.057098 0.374653 O\n0.208818 0.942902 0.125347 O\n0.291182 0.557098 0.625347 O\n0.064844 0.750000 0.183290 F\n0.435156 0.750000 0.683290 F\n0.935156 0.250000 0.816710 F\n0.564844 0.250000 0.316710 F\n0.473788 0.750000 0.170039 F\n0.026212 0.750000 0.670039 F\n0.526212 0.250000 0.829961 F\n0.973788 0.250000 0.329961 F\n0.411194 0.750000 0.981282 F\n0.088806 0.750000 0.481282 F\n0.588806 0.250000 0.018718 F\n0.911194 0.250000 0.518718 F\n0.711704 0.750000 0.909225 F\n0.788296 0.750000 0.409225 F\n0.288296 0.250000 0.090775 F\n0.211704 0.250000 0.590775 F\n0.586258 0.586480 0.036836 F\n0.913742 0.913520 0.536836 F\n0.413742 0.086480 0.963164 F\n0.086258 0.413520 0.463164 F\n0.413742 0.413520 0.963164 F\n0.086258 0.086480 0.463164 F\n0.586258 0.913520 0.036836 F\n0.913742 0.586480 0.536836 F\n0.775718 0.635798 0.204759 F\n0.724282 0.864202 0.704759 F\n0.224282 0.135798 0.795241 F\n0.275718 0.364202 0.295241 F\n0.224282 0.364202 0.795241 F\n0.275718 0.135798 0.295241 F\n0.775718 0.864202 0.204759 F\n0.724282 0.635798 0.704759 F\n0.924799 0.627493 0.042643 F\n0.575201 0.872507 0.542643 F\n0.075201 0.127493 0.957357 F\n0.424799 0.372507 0.457357 F\n0.075201 0.372507 0.957357 F\n0.424799 0.127493 0.457357 F\n0.924799 0.872507 0.042643 F\n0.575201 0.627493 0.542643 F\n",
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{
"id": "mp-975644",
"created_at": "2022-09-04T14:46:21.489977Z",
"structure_string": "Be1 F2\n1.0\n1.785593 -3.092739 0.000000\n1.785593 3.092739 0.000000\n0.000000 0.000000 2.478556\nBe F\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.500000 F\n0.333333 0.666667 0.500000 F\n",
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"spacegroup": 191
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{
"id": "mp-1215760",
"created_at": "2022-09-04T14:46:21.492538Z",
"structure_string": "Zn1 Fe1 Cu4 Ge2 S8\n1.0\n3.770019 -5.310747 0.000000\n3.770019 5.310747 0.000000\n0.000000 0.000000 7.543507\nZn Fe Cu Ge S\n1 1 4 2 8\ndirect\n0.499907 0.500093 0.500000 Zn\n0.999843 0.000157 0.000000 Fe\n0.500772 0.000642 0.249336 Cu\n0.999358 0.499228 0.750664 Cu\n0.999358 0.499228 0.249336 Cu\n0.500772 0.000642 0.750664 Cu\n0.998461 0.001539 0.500000 Ge\n0.501536 0.498464 0.000000 Ge\n0.874258 0.125742 0.750772 S\n0.372143 0.627857 0.242739 S\n0.874258 0.125742 0.249228 S\n0.372143 0.627857 0.757261 S\n0.874916 0.624943 0.000000 S\n0.372080 0.114860 0.500000 S\n0.375057 0.125084 0.000000 S\n0.885140 0.627920 0.500000 S\n",
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"volume": 302.06641740272914,
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"formula_full": "Zn1 Fe1 Cu4 Ge2 S8",
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{
"id": "mp-1048717",
"created_at": "2022-09-04T14:46:21.495813Z",
"structure_string": "Sr4 Mg1 Co2 S2 O6\n1.0\n3.882258 0.000000 0.000000\n0.000000 3.882258 0.000000\n0.000000 0.000000 16.301384\nSr Mg Co S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.191565 Sr\n0.500000 0.000000 0.808435 Sr\n0.000000 0.500000 0.414955 Sr\n0.500000 0.000000 0.585045 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.312959 Co\n0.000000 0.500000 0.687041 Co\n0.500000 0.000000 0.095710 S\n0.000000 0.500000 0.904290 S\n0.000000 0.000000 0.293344 O\n0.500000 0.500000 0.292946 O\n0.500000 0.500000 0.707054 O\n0.000000 0.000000 0.706656 O\n0.500000 0.000000 0.431996 O\n0.000000 0.500000 0.568004 O\n",
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{
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{
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{
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"structure_string": "Ca6 H36 C24 O36\n1.0\n6.113459 0.000000 0.000000\n-0.105044 10.450673 0.000000\n-2.972298 -5.057591 15.741965\nCa H C O\n6 36 24 36\ndirect\n0.252160 0.118013 0.996029 Ca\n0.747840 0.881987 0.003971 Ca\n0.953152 0.804689 0.390479 Ca\n0.046848 0.195311 0.609521 Ca\n0.455520 0.575092 0.394220 Ca\n0.544480 0.424908 0.605780 Ca\n0.479756 0.334447 0.962626 H\n0.520244 0.665553 0.037374 H\n0.542943 0.398086 0.061802 H\n0.457057 0.601914 0.938198 H\n0.812968 0.259027 0.982954 H\n0.187032 0.740973 0.017046 H\n0.932021 0.305117 0.919431 H\n0.067979 0.694883 0.080569 H\n0.282034 0.342390 0.243406 H\n0.717966 0.657610 0.756594 H\n0.154285 0.972177 0.634986 H\n0.845715 0.027823 0.365014 H\n0.748591 0.251384 0.205104 H\n0.251409 0.748616 0.794896 H\n0.916270 0.131031 0.233399 H\n0.083730 0.868969 0.766601 H\n0.031679 0.185100 0.364660 H\n0.968321 0.814900 0.635340 H\n0.839228 0.308632 0.391530 H\n0.160772 0.691368 0.608470 H\n0.497062 0.815519 0.631656 H\n0.502938 0.184481 0.368344 H\n0.670064 0.922922 0.603518 H\n0.329936 0.077078 0.396482 H\n0.747629 0.037777 0.791791 H\n0.252371 0.962223 0.208209 H\n0.580134 0.887525 0.760737 H\n0.419866 0.112475 0.239263 H\n0.881224 0.503281 0.856586 H\n0.118776 0.496719 0.143414 H\n0.883579 0.359566 0.790670 H\n0.116421 0.640434 0.209330 H\n0.229213 0.422827 0.865853 H\n0.770787 0.577173 0.134147 H\n0.431510 0.399259 0.819556 H\n0.568490 0.600741 0.180444 H\n0.026378 0.206009 0.142780 C\n0.973622 0.793991 0.857220 C\n0.922921 0.228832 0.221630 C\n0.077079 0.771168 0.778370 C\n0.038794 0.338931 0.303637 C\n0.961206 0.661069 0.696363 C\n0.010390 0.293272 0.380460 C\n0.989610 0.706728 0.619540 C\n0.165046 0.359133 0.464700 C\n0.834954 0.640867 0.535300 C\n0.927045 0.474462 0.313550 C\n0.072955 0.525538 0.686450 C\n0.340496 0.888253 0.531901 C\n0.659504 0.111747 0.468099 C\n0.501911 0.909895 0.615659 C\n0.498089 0.090105 0.384341 C\n0.461964 0.027553 0.692239 C\n0.538036 0.972447 0.307761 C\n0.573301 0.996766 0.774418 C\n0.426699 0.003234 0.225582 C\n0.470651 0.044827 0.853864 C\n0.529349 0.955173 0.146136 C\n0.568960 0.160479 0.687505 C\n0.431040 0.839521 0.312495 C\n0.180573 0.289999 0.141722 O\n0.819427 0.710001 0.858278 O\n0.524802 0.310665 0.015489 O\n0.475198 0.689335 0.984511 O\n0.960509 0.101446 0.080659 O\n0.039491 0.898554 0.919341 O\n0.944688 0.246193 0.955819 O\n0.055312 0.753807 0.044181 O\n0.184816 0.294299 0.518943 O\n0.815184 0.705701 0.481057 O\n0.272727 0.471022 0.480347 O\n0.727273 0.528978 0.519653 O\n0.054431 0.579994 0.327609 O\n0.945569 0.420006 0.672391 O\n0.719453 0.471683 0.309995 O\n0.280547 0.528317 0.690005 O\n0.273116 0.356236 0.304860 O\n0.726884 0.643764 0.695140 O\n0.218069 0.981141 0.519138 O\n0.781931 0.018859 0.480862 O\n0.323872 0.772614 0.477123 O\n0.676128 0.227386 0.522877 O\n0.536760 0.990255 0.912610 O\n0.463240 0.009745 0.087390 O\n0.328085 0.131623 0.860874 O\n0.671915 0.868377 0.139126 O\n0.442847 0.253402 0.677085 O\n0.557153 0.746598 0.322915 O\n0.778322 0.167200 0.693647 O\n0.221678 0.832800 0.306353 O\n0.224091 0.037122 0.688882 O\n0.775909 0.962878 0.311118 O\n0.933344 0.412864 0.850508 O\n0.066656 0.587136 0.149492 O\n0.394280 0.436360 0.875823 O\n0.605720 0.563640 0.124177 O\n",
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