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{
"id": "mp-1195582",
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"structure_string": "La32 Sb8 S60\n1.0\n-8.019576 8.019576 9.968117\n8.019576 -8.019576 9.968117\n8.019576 8.019576 -9.968117\nLa Sb S\n32 8 60\ndirect\n0.419029 0.049298 0.330918 La\n0.218380 0.549298 0.630269 La\n0.838111 0.669029 0.869731 La\n0.338111 0.468380 0.169082 La\n0.718380 0.088111 0.669082 La\n0.919029 0.588111 0.369731 La\n0.799298 0.968380 0.130269 La\n0.299298 0.169029 0.830918 La\n0.345974 0.169289 0.135326 La\n0.533963 0.669289 0.823315 La\n0.960648 0.595974 0.676685 La\n0.460648 0.783963 0.364674 La\n0.033963 0.210648 0.864674 La\n0.845974 0.710648 0.176685 La\n0.919289 0.283963 0.323315 La\n0.419289 0.095974 0.635326 La\n0.434077 0.777290 0.068618 La\n0.208672 0.277290 0.343213 La\n0.115459 0.684077 0.156787 La\n0.615459 0.458672 0.431382 La\n0.708672 0.365459 0.931382 La\n0.934077 0.865459 0.656787 La\n0.527290 0.958672 0.843213 La\n0.027290 0.184077 0.568618 La\n0.153184 0.859999 0.008482 La\n0.351517 0.359999 0.706815 La\n0.894702 0.403184 0.793185 La\n0.394702 0.601517 0.491518 La\n0.851517 0.144702 0.991518 La\n0.653184 0.644702 0.293185 La\n0.609999 0.101517 0.206815 La\n0.109999 0.903184 0.508482 La\n0.258462 0.869664 0.818144 Sb\n0.551520 0.369664 0.611202 Sb\n0.190318 0.508462 0.888798 Sb\n0.690318 0.801520 0.681856 Sb\n0.051520 0.440318 0.181856 Sb\n0.758462 0.940318 0.388798 Sb\n0.619664 0.301520 0.111202 Sb\n0.119664 0.008462 0.318144 Sb\n0.249819 0.249819 0.000000 S\n0.749819 0.749819 0.000000 S\n0.999819 0.499819 0.500000 S\n0.499819 0.999819 0.500000 S\n0.166984 0.978340 0.891753 S\n0.586587 0.478340 0.811356 S\n0.025230 0.416984 0.688644 S\n0.525230 0.836587 0.608247 S\n0.086587 0.275230 0.108247 S\n0.666984 0.775230 0.188644 S\n0.728340 0.336587 0.311356 S\n0.228340 0.916984 0.391753 S\n0.379520 0.579102 0.852634 S\n0.226469 0.079102 0.199582 S\n0.276887 0.629520 0.300418 S\n0.776887 0.476469 0.647366 S\n0.726469 0.526887 0.147366 S\n0.879520 0.026887 0.800418 S\n0.329102 0.976469 0.699582 S\n0.829102 0.129520 0.352634 S\n0.383171 0.969205 0.096646 S\n0.372558 0.469205 0.586034 S\n0.036524 0.633171 0.913966 S\n0.536524 0.622558 0.403354 S\n0.872558 0.286524 0.903354 S\n0.883171 0.786524 0.413966 S\n0.719205 0.122558 0.086034 S\n0.219205 0.133171 0.596646 S\n0.029983 0.840453 0.116445 S\n0.224009 0.340453 0.810471 S\n0.663538 0.279983 0.689529 S\n0.163538 0.474009 0.383555 S\n0.724009 0.913538 0.883555 S\n0.529983 0.413538 0.189529 S\n0.590453 0.974009 0.310471 S\n0.090453 0.779983 0.616445 S\n0.378510 0.730382 0.691840 S\n0.538542 0.230382 0.351872 S\n0.436670 0.628510 0.148128 S\n0.936670 0.788542 0.808160 S\n0.038542 0.686670 0.308160 S\n0.878510 0.186670 0.648128 S\n0.480382 0.288542 0.851872 S\n0.980382 0.128510 0.191840 S\n0.302327 0.809723 0.176854 S\n0.132869 0.309723 0.507396 S\n0.875473 0.552327 0.992604 S\n0.375473 0.382869 0.323146 S\n0.632869 0.125473 0.823146 S\n0.802327 0.625473 0.492604 S\n0.559723 0.882869 0.007396 S\n0.059723 0.052327 0.676854 S\n0.203857 0.714956 0.835954 S\n0.379002 0.214956 0.511099 S\n0.117903 0.453857 0.988901 S\n0.617903 0.629002 0.664046 S\n0.879002 0.367903 0.164046 S\n0.703857 0.867903 0.488901 S\n0.464956 0.129002 0.011099 S\n0.964956 0.953857 0.335954 S\n",
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"volume": 2564.341926855344,
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"formula_full": "La32 Sb8 S60",
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{
"id": "mp-24195",
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"structure_string": "Mg4 P8 H64 O40\n1.0\n-5.223461 5.223461 10.232698\n5.223461 -5.223461 10.232698\n5.223461 5.223461 -10.232698\nMg P H O\n4 8 64 40\ndirect\n0.000000 0.500000 0.500000 Mg\n0.250000 0.250000 0.000000 Mg\n0.750000 0.750000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.125000 0.638085 0.013085 P\n0.388085 0.875000 0.013085 P\n0.861915 0.375000 0.986915 P\n0.625000 0.111915 0.986915 P\n0.125000 0.138085 0.513085 P\n0.888085 0.875000 0.513085 P\n0.361915 0.375000 0.486915 P\n0.625000 0.611915 0.486915 P\n0.510606 0.656591 0.493806 H\n0.483199 0.337215 0.493806 H\n0.843409 0.989394 0.506194 H\n0.739394 0.733199 0.645984 H\n0.087215 0.093409 0.354016 H\n0.406591 0.412785 0.645984 H\n0.766801 0.760606 0.354016 H\n0.162785 0.016801 0.506194 H\n0.239394 0.593409 0.006194 H\n0.266801 0.912785 0.006194 H\n0.906591 0.260606 0.993806 H\n0.010606 0.516801 0.854016 H\n0.662785 0.156591 0.145984 H\n0.343409 0.837215 0.854016 H\n0.983199 0.489394 0.145984 H\n0.587215 0.233199 0.993806 H\n0.469649 0.770491 0.188675 H\n0.219026 0.918183 0.188675 H\n0.729509 0.030351 0.811325 H\n0.780351 0.469026 0.800842 H\n0.668183 0.979509 0.199158 H\n0.520491 0.831817 0.800842 H\n0.030974 0.719649 0.199158 H\n0.581817 0.280974 0.811325 H\n0.280351 0.479509 0.311325 H\n0.530974 0.331817 0.311325 H\n0.020491 0.219649 0.688675 H\n0.969649 0.780974 0.699158 H\n0.924422 0.314316 0.499220 H\n0.081817 0.270491 0.300842 H\n0.719026 0.530351 0.300842 H\n0.168183 0.969026 0.688675 H\n0.526911 0.717354 0.302614 H\n0.275703 0.085260 0.302614 H\n0.782646 0.973089 0.697386 H\n0.723089 0.525703 0.690443 H\n0.835260 0.032646 0.309557 H\n0.467354 0.664740 0.690443 H\n0.974297 0.776911 0.309557 H\n0.414740 0.224297 0.697386 H\n0.223089 0.532646 0.197386 H\n0.474297 0.164740 0.197386 H\n0.967354 0.276911 0.802614 H\n0.026911 0.724297 0.809557 H\n0.914740 0.217354 0.190443 H\n0.282646 0.585260 0.809557 H\n0.775703 0.473089 0.190443 H\n0.335260 0.025703 0.802614 H\n0.434903 0.435684 0.110105 H\n0.175202 0.174422 0.110105 H\n0.064316 0.065097 0.889895 H\n0.815097 0.425202 0.500780 H\n0.424422 0.925202 0.610105 H\n0.675202 0.565097 0.000780 H\n0.564316 0.674422 0.999220 H\n0.825578 0.935684 0.000780 H\n0.934903 0.824798 0.999220 H\n0.685684 0.184903 0.610105 H\n0.574798 0.075578 0.389895 H\n0.315097 0.814316 0.389895 H\n0.325578 0.324798 0.889895 H\n0.074798 0.684903 0.499220 H\n0.185684 0.575578 0.500780 H\n0.229509 0.418183 0.699158 H\n0.582964 0.579572 0.321681 O\n0.238717 0.242109 0.321681 O\n0.920428 0.917036 0.678319 O\n0.667036 0.488717 0.496608 O\n0.992109 0.170428 0.503392 O\n0.329572 0.507891 0.496608 O\n0.011283 0.832964 0.503392 O\n0.257891 0.261283 0.678319 O\n0.167036 0.670428 0.178319 O\n0.511283 0.007891 0.178319 O\n0.829572 0.332964 0.821681 O\n0.082964 0.761283 0.003392 O\n0.757891 0.079572 0.996608 O\n0.420428 0.742109 0.003392 O\n0.738717 0.417036 0.996608 O\n0.492109 0.988717 0.821681 O\n0.749652 0.952980 0.196618 O\n0.946965 0.743638 0.196618 O\n0.547020 0.750348 0.803382 O\n0.500348 0.196965 0.703328 O\n0.493638 0.797020 0.296672 O\n0.702980 0.006362 0.703328 O\n0.303035 0.999652 0.296672 O\n0.756362 0.553035 0.803382 O\n0.000348 0.297020 0.303382 O\n0.803035 0.506362 0.303382 O\n0.202980 0.499652 0.696618 O\n0.249652 0.053035 0.796672 O\n0.256362 0.452980 0.203328 O\n0.047020 0.243638 0.796672 O\n0.446965 0.250348 0.203328 O\n0.993638 0.696965 0.696618 O\n0.647482 0.647482 0.000000 O\n0.397482 0.897482 0.500000 O\n0.602518 0.102518 0.500000 O\n0.852518 0.852518 0.000000 O\n0.102518 0.602518 0.500000 O\n0.352518 0.352518 0.000000 O\n0.147482 0.147482 0.000000 O\n0.897482 0.397482 0.500000 O\n",
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{
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{
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{
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"structure_string": "La4 Cu4 Se1 S3 O4\n1.0\n5.677326 0.000000 0.000000\n0.000000 5.677326 0.000000\n0.000000 0.000000 8.589678\nLa Cu Se S O\n4 4 1 3 4\ndirect\n0.500000 0.500000 0.853563 La\n0.000000 0.000000 0.853554 La\n0.000000 0.500000 0.145516 La\n0.500000 0.000000 0.145516 La\n0.248536 0.751464 0.501030 Cu\n0.751464 0.248536 0.501030 Cu\n0.248536 0.248536 0.501030 Cu\n0.751464 0.751464 0.501030 Cu\n0.500000 0.500000 0.329231 Se\n0.000000 0.000000 0.341729 S\n0.000000 0.500000 0.658196 S\n0.500000 0.000000 0.658196 S\n0.249774 0.750226 0.999345 O\n0.750226 0.249774 0.999345 O\n0.249774 0.249774 0.999345 O\n0.750226 0.750226 0.999345 O\n",
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