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{
"id": "mp-23634",
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"structure_string": "K8 Sb8 Cl8 F24\n1.0\n8.032679 0.000000 0.000000\n0.000000 8.258637 0.000000\n0.000000 0.000000 15.099326\nK Sb Cl F\n8 8 8 24\ndirect\n0.681587 0.195691 0.057429 K\n0.181587 0.304309 0.942571 K\n0.318413 0.695691 0.442571 K\n0.818413 0.804309 0.557429 K\n0.181587 0.195691 0.442571 K\n0.818413 0.695691 0.057429 K\n0.681587 0.304309 0.557429 K\n0.318413 0.804309 0.942571 K\n0.629997 0.004730 0.324535 Sb\n0.129997 0.495270 0.675465 Sb\n0.370003 0.504730 0.175465 Sb\n0.870003 0.995270 0.824535 Sb\n0.370003 0.995270 0.675465 Sb\n0.870003 0.504730 0.324535 Sb\n0.629997 0.495270 0.824535 Sb\n0.129997 0.004730 0.175465 Sb\n0.018394 0.376979 0.150592 Cl\n0.018394 0.123021 0.650592 Cl\n0.481606 0.876979 0.150592 Cl\n0.981606 0.623021 0.849408 Cl\n0.481606 0.623021 0.650592 Cl\n0.981606 0.876979 0.349408 Cl\n0.518394 0.123021 0.849408 Cl\n0.518394 0.376979 0.349408 Cl\n0.892570 0.271109 0.354214 F\n0.392570 0.228891 0.645786 F\n0.107430 0.771109 0.145786 F\n0.607430 0.728891 0.854214 F\n0.107430 0.728891 0.645786 F\n0.607430 0.771109 0.354214 F\n0.892570 0.228891 0.854214 F\n0.392570 0.271109 0.145786 F\n0.614768 0.504979 0.151035 F\n0.114768 0.995021 0.848965 F\n0.385232 0.004979 0.348965 F\n0.885232 0.495021 0.651035 F\n0.385232 0.495021 0.848965 F\n0.885232 0.004979 0.151035 F\n0.614768 0.995021 0.651035 F\n0.164383 0.038681 0.046115 F\n0.664383 0.038681 0.453885 F\n0.164383 0.461319 0.546115 F\n0.335617 0.538681 0.046115 F\n0.835617 0.961319 0.953885 F\n0.335617 0.961319 0.546115 F\n0.835617 0.538681 0.453885 F\n0.664383 0.461319 0.953885 F\n0.114768 0.504979 0.348965 F\n",
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{
"id": "mp-1517646",
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"structure_string": "K1 Ba1 Ce1 Mn1 O6\n1.0\n-0.000000 -4.177467 -4.177467\n4.177467 -0.000000 -4.177467\n4.177467 -4.177467 0.000000\nK Ba Ce Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mn\n0.732799 0.267201 0.267201 O\n0.267201 0.732799 0.732799 O\n0.732799 0.267201 0.732799 O\n0.267201 0.732799 0.267201 O\n0.732799 0.732799 0.267201 O\n0.267201 0.267201 0.732799 O\n",
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{
"id": "mp-667447",
"created_at": "2022-09-04T14:40:15.116007Z",
"structure_string": "Te8 As8 Se16 F48\n1.0\n9.131208 0.000000 0.000000\n0.000000 13.644472 0.000000\n0.000000 0.000000 16.161641\nTe As Se F\n8 8 16 48\ndirect\n0.504557 0.781883 0.110046 Te\n0.995443 0.218117 0.610046 Te\n0.004557 0.718117 0.889954 Te\n0.185111 0.822330 0.774085 Te\n0.495443 0.281883 0.389954 Te\n0.814889 0.322330 0.725915 Te\n0.314889 0.177670 0.274085 Te\n0.685111 0.677670 0.225915 Te\n0.722547 0.728191 0.708951 As\n0.277453 0.228191 0.791049 As\n0.735117 0.538677 0.995148 As\n0.264883 0.038677 0.504852 As\n0.235117 0.961323 0.004852 As\n0.777453 0.271809 0.208951 As\n0.222547 0.771809 0.291049 As\n0.764883 0.461323 0.495148 As\n0.864838 0.916408 0.182734 Se\n0.717209 0.860330 0.296993 Se\n0.138694 0.546730 0.874771 Se\n0.135162 0.416408 0.317266 Se\n0.217209 0.639670 0.703007 Se\n0.782791 0.139670 0.796993 Se\n0.861306 0.046730 0.625229 Se\n0.361306 0.453270 0.374771 Se\n0.178199 0.244305 0.103828 Se\n0.635162 0.083592 0.682734 Se\n0.638694 0.953270 0.125229 Se\n0.282791 0.360330 0.203007 Se\n0.321801 0.755695 0.603828 Se\n0.678199 0.255695 0.896172 Se\n0.364838 0.583592 0.817266 Se\n0.821801 0.744305 0.396172 Se\n0.823311 0.838254 0.701700 F\n0.409457 0.232278 0.493338 F\n0.434658 0.288060 0.835112 F\n0.165459 0.737279 0.190427 F\n0.565342 0.788060 0.664888 F\n0.143409 0.935149 0.856752 F\n0.120177 0.881515 0.281766 F\n0.856591 0.435149 0.643248 F\n0.269378 0.971522 0.114475 F\n0.879823 0.381515 0.218234 F\n0.334541 0.262721 0.690427 F\n0.380709 0.832794 0.243796 F\n0.379823 0.118485 0.781766 F\n0.408743 0.951671 0.508515 F\n0.356591 0.064851 0.356752 F\n0.908743 0.548329 0.491485 F\n0.676689 0.161746 0.201700 F\n0.230622 0.028478 0.614475 F\n0.143584 0.750528 0.556492 F\n0.643409 0.564851 0.143248 F\n0.590543 0.732278 0.006662 F\n0.909457 0.267722 0.506662 F\n0.591257 0.451671 0.991485 F\n0.378316 0.042902 0.979164 F\n0.213385 0.192334 0.888088 F\n0.090543 0.767722 0.993338 F\n0.620177 0.618485 0.718234 F\n0.880709 0.667206 0.756204 F\n0.286615 0.807666 0.388088 F\n0.619291 0.332794 0.256204 F\n0.713385 0.307666 0.111912 F\n0.121684 0.957098 0.479164 F\n0.643584 0.749472 0.443508 F\n0.065342 0.711940 0.335112 F\n0.665459 0.762721 0.809573 F\n0.119291 0.167206 0.743796 F\n0.176689 0.338254 0.798300 F\n0.323311 0.661746 0.298300 F\n0.091257 0.048329 0.008515 F\n0.934658 0.211940 0.164888 F\n0.356416 0.249472 0.056492 F\n0.730622 0.471522 0.385525 F\n0.834541 0.237279 0.309573 F\n0.786615 0.692334 0.611912 F\n0.856416 0.250528 0.943508 F\n0.878316 0.457098 0.020836 F\n0.769378 0.528478 0.885525 F\n0.621684 0.542902 0.520836 F\n",
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"elements": [
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"density_atomic": 0.03973009114178454,
"volume": 2013.587125045963,
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"formula_full": "Te8 As8 Se16 F48",
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{
"id": "mp-31281",
"created_at": "2022-09-04T14:40:15.123734Z",
"structure_string": "Sr12 Sn12 Au12\n1.0\n4.897100 0.000000 0.000000\n0.000000 8.399727 0.000000\n0.000000 0.000000 23.748597\nSr Sn Au\n12 12 12\ndirect\n0.750000 0.211892 0.497856 Sr\n0.250000 0.791195 0.166076 Sr\n0.250000 0.788108 0.502144 Sr\n0.250000 0.792819 0.833210 Sr\n0.250000 0.707181 0.333210 Sr\n0.750000 0.208805 0.833924 Sr\n0.750000 0.288108 0.997856 Sr\n0.750000 0.292819 0.666790 Sr\n0.750000 0.291195 0.333924 Sr\n0.250000 0.708805 0.666076 Sr\n0.250000 0.711892 0.002144 Sr\n0.750000 0.207181 0.166790 Sr\n0.250000 0.414110 0.565950 Sn\n0.250000 0.083690 0.398192 Sn\n0.250000 0.085890 0.065950 Sn\n0.250000 0.416310 0.898192 Sn\n0.750000 0.583690 0.101808 Sn\n0.250000 0.417788 0.768980 Sn\n0.750000 0.582212 0.231020 Sn\n0.750000 0.585890 0.434050 Sn\n0.750000 0.914110 0.934050 Sn\n0.250000 0.082212 0.268980 Sn\n0.750000 0.916310 0.601808 Sn\n0.750000 0.917788 0.731020 Sn\n0.250000 0.086878 0.593785 Au\n0.250000 0.086904 0.738798 Au\n0.750000 0.586878 0.906215 Au\n0.750000 0.913122 0.406215 Au\n0.750000 0.584094 0.566983 Au\n0.750000 0.586904 0.761202 Au\n0.250000 0.415906 0.433017 Au\n0.250000 0.413096 0.238798 Au\n0.750000 0.915906 0.066983 Au\n0.250000 0.413122 0.093785 Au\n0.250000 0.084094 0.933017 Au\n0.750000 0.913096 0.261202 Au\n",
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{
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"structure_string": "La4 Ti6 O18\n1.0\n5.913995 0.000000 0.000000\n-0.169772 7.918629 0.000000\n-2.820190 -2.905651 8.051178\nLa Ti O\n4 6 18\ndirect\n0.806847 0.180805 0.579765 La\n0.128809 0.192732 0.214879 La\n0.871191 0.807268 0.785121 La\n0.193153 0.819195 0.420235 La\n0.426327 0.075664 0.851061 Ti\n0.766586 0.486439 0.998378 Ti\n0.338915 0.483943 0.660908 Ti\n0.661085 0.516057 0.339092 Ti\n0.233414 0.513561 0.001622 Ti\n0.573673 0.924336 0.148939 Ti\n0.716318 0.003156 0.998416 O\n0.118370 0.011450 0.694325 O\n0.579137 0.025048 0.690179 O\n0.989916 0.324658 0.954741 O\n0.459794 0.324571 0.948659 O\n0.184053 0.281041 0.496630 O\n0.612245 0.321312 0.390343 O\n0.656658 0.461323 0.763034 O\n0.121451 0.521387 0.775425 O\n0.878549 0.478613 0.224575 O\n0.343342 0.538677 0.236966 O\n0.387755 0.678688 0.609657 O\n0.815947 0.718959 0.503370 O\n0.540206 0.675429 0.051341 O\n0.010084 0.675342 0.045259 O\n0.420863 0.974952 0.309821 O\n0.881630 0.988550 0.305675 O\n0.283682 0.996844 0.001584 O\n",
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{
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"structure_string": "Rb4 Al4 Si4 O16\n1.0\n5.379884 0.000000 0.000000\n0.000000 8.908396 0.000000\n0.000000 0.000000 9.343347\nRb Al Si O\n4 4 4 16\ndirect\n0.487943 0.001183 0.301368 Rb\n0.987943 0.998817 0.698632 Rb\n0.987943 0.498817 0.801368 Rb\n0.487943 0.501183 0.198632 Rb\n0.011548 0.814841 0.083942 Al\n0.511548 0.185159 0.916058 Al\n0.511548 0.685159 0.583942 Al\n0.011548 0.314841 0.416058 Al\n0.012067 0.692205 0.415226 Si\n0.512067 0.307795 0.584774 Si\n0.512067 0.807795 0.915226 Si\n0.012067 0.192205 0.084774 Si\n0.089119 0.753525 0.256524 O\n0.589119 0.246475 0.743476 O\n0.589119 0.746475 0.756524 O\n0.089119 0.253525 0.243476 O\n0.218388 0.755093 0.531141 O\n0.718388 0.244907 0.468859 O\n0.718388 0.744907 0.031141 O\n0.218388 0.255093 0.968859 O\n0.736700 0.755600 0.462399 O\n0.236700 0.244400 0.537601 O\n0.236700 0.744400 0.962399 O\n0.736700 0.255600 0.037601 O\n0.011966 0.010060 0.088737 O\n0.511966 0.989940 0.911263 O\n0.511966 0.489940 0.588737 O\n0.011966 0.510060 0.411263 O\n",
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{
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"structure_string": "Ca2 Mn6 V8 O24\n1.0\n-0.005182 -7.515457 -0.005375\n0.010428 -0.004831 -7.550776\n7.554723 0.005331 -0.010657\nCa Mn V O\n2 6 8 24\ndirect\n0.001759 0.001011 0.999168 Ca\n0.498090 0.499110 0.500620 Ca\n0.492682 0.999574 0.499735 Mn\n0.999597 0.998597 0.500303 Mn\n0.500782 0.499220 0.999440 Mn\n0.500212 0.000103 0.998943 Mn\n0.999611 0.499853 0.502154 Mn\n0.001011 0.500578 0.000368 Mn\n0.249201 0.250564 0.249697 V\n0.750191 0.750239 0.750267 V\n0.250629 0.749950 0.750300 V\n0.749001 0.249370 0.250208 V\n0.749779 0.249864 0.749782 V\n0.250140 0.749510 0.249790 V\n0.250029 0.250133 0.750094 V\n0.749895 0.749946 0.250065 V\n0.203951 0.306362 0.508467 O\n0.703770 0.805308 0.008832 O\n0.702956 0.190001 0.998644 O\n0.202032 0.688837 0.500367 O\n0.796883 0.310301 0.501320 O\n0.297651 0.811448 0.999568 O\n0.295852 0.193953 0.991529 O\n0.797265 0.695384 0.491055 O\n0.502622 0.205744 0.688062 O\n0.005071 0.706555 0.187989 O\n0.991979 0.706192 0.806806 O\n0.492931 0.206963 0.305453 O\n0.507636 0.792621 0.693792 O\n0.008435 0.294249 0.193405 O\n0.997161 0.295960 0.812986 O\n0.495901 0.791898 0.310597 O\n0.301721 0.507764 0.794864 O\n0.803369 0.008383 0.292741 O\n0.191163 0.000287 0.299113 O\n0.690082 0.500496 0.796653 O\n0.310738 0.499495 0.201568 O\n0.810804 0.999946 0.704133 O\n0.197733 0.992283 0.705913 O\n0.699687 0.491948 0.205212 O\n",
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"formula_full": "Ca2 Mn6 V8 O24",
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{
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