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{
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{
"id": "mp-1042895",
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{
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"structure_string": "Cs4 Al4 V4 P8 O40\n1.0\n7.782179 0.000000 -2.131484\n0.000000 8.276532 0.000000\n0.176386 0.000000 14.275370\nCs Al V P O\n4 4 4 8 40\ndirect\n0.617836 0.976041 0.299441 Cs\n0.117836 0.523959 0.799441 Cs\n0.382164 0.023959 0.700559 Cs\n0.882164 0.476041 0.200559 Cs\n0.246947 0.961815 0.966508 Al\n0.746947 0.538185 0.466508 Al\n0.753053 0.038185 0.033492 Al\n0.253053 0.461815 0.533492 Al\n0.660432 0.544801 0.863943 V\n0.160432 0.955199 0.363943 V\n0.339568 0.455199 0.136057 V\n0.839568 0.044801 0.636057 V\n0.536456 0.728209 0.039908 P\n0.036456 0.771791 0.539908 P\n0.463544 0.271791 0.960092 P\n0.963544 0.228209 0.460092 P\n0.142689 0.107183 0.147002 P\n0.642689 0.392817 0.647002 P\n0.857311 0.892817 0.852998 P\n0.357311 0.607183 0.352998 P\n0.504862 0.660206 0.798998 O\n0.004862 0.839794 0.298998 O\n0.495138 0.339794 0.201002 O\n0.995138 0.160206 0.701002 O\n0.640784 0.612797 0.991106 O\n0.140784 0.887203 0.491106 O\n0.359216 0.387203 0.008894 O\n0.859216 0.112797 0.508894 O\n0.500102 0.642233 0.128375 O\n0.000102 0.857767 0.628375 O\n0.499898 0.357767 0.871625 O\n0.999898 0.142233 0.371625 O\n0.370720 0.785502 0.966517 O\n0.870720 0.714498 0.466517 O\n0.629280 0.214498 0.033483 O\n0.129280 0.285502 0.533483 O\n0.351911 0.121043 0.921353 O\n0.851911 0.378957 0.421353 O\n0.648089 0.878957 0.078647 O\n0.148089 0.621043 0.578647 O\n0.549815 0.564728 0.383413 O\n0.049815 0.935272 0.883413 O\n0.450185 0.435272 0.616587 O\n0.950185 0.064728 0.116587 O\n0.239217 0.009352 0.084982 O\n0.739217 0.490648 0.584982 O\n0.760783 0.990648 0.915018 O\n0.260783 0.509352 0.415018 O\n0.160344 0.289707 0.132166 O\n0.660344 0.210293 0.632166 O\n0.839656 0.710293 0.867834 O\n0.339656 0.789707 0.367834 O\n0.218418 0.062439 0.254096 O\n0.718418 0.437561 0.754096 O\n0.781582 0.937561 0.745904 O\n0.281582 0.562439 0.245904 O\n0.356020 0.085261 0.431850 O\n0.856020 0.414739 0.931850 O\n0.643980 0.914739 0.568150 O\n0.143980 0.585261 0.068150 O\n",
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"formula_full": "Cs4 Al4 V4 P8 O40",
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},
{
"id": "mp-770630",
"created_at": "2022-09-04T14:41:36.763951Z",
"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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"elements": [
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"density_atomic": 0.08760339543880627,
"volume": 388.11281035048546,
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"formula_full": "Rb2 Li4 Cr4 B6 O18",
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"spacegroup": 13
},
{
"id": "mp-1035198",
"created_at": "2022-09-04T14:41:28.616705Z",
"structure_string": "Mg14 Zn1 Co1 O16\n1.0\n8.561924 0.000000 0.000000\n0.000000 8.504926 0.000000\n0.000000 0.000000 4.257680\nMg Zn Co O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.249650 0.500000 Mg\n0.000000 0.750350 0.500000 Mg\n0.500000 0.250335 0.500000 Mg\n0.500000 0.749665 0.500000 Mg\n0.250151 0.000000 0.500000 Mg\n0.249920 0.500000 0.500000 Mg\n0.749849 0.000000 0.500000 Mg\n0.750080 0.500000 0.500000 Mg\n0.250035 0.251245 0.000000 Mg\n0.250035 0.748755 0.000000 Mg\n0.749965 0.251245 0.000000 Mg\n0.749965 0.748755 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Co\n0.253080 0.000000 0.000000 O\n0.255628 0.500000 0.000000 O\n0.746920 0.000000 0.000000 O\n0.744372 0.500000 0.000000 O\n0.248562 0.249695 0.500000 O\n0.248562 0.750305 0.500000 O\n0.751438 0.249695 0.500000 O\n0.751438 0.750305 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.253660 0.000000 O\n0.000000 0.746340 0.000000 O\n0.500000 0.249509 0.000000 O\n0.500000 0.750491 0.000000 O\n",
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],
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"formula_full": "Mg14 Zn1 Co1 O16",
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},
{
"id": "mp-1042711",
"created_at": "2022-09-04T14:41:34.608255Z",
"structure_string": "Ca8 Fe8 Bi8 O40\n1.0\n5.593882 0.000000 0.000000\n0.000000 11.383833 0.000000\n0.000000 0.000000 15.397352\nCa Fe Bi O\n8 8 8 40\ndirect\n0.506201 0.359460 0.449383 Ca\n0.006201 0.140540 0.449383 Ca\n0.006201 0.640540 0.050617 Ca\n0.993799 0.359460 0.949383 Ca\n0.493799 0.140540 0.949383 Ca\n0.993799 0.859460 0.550617 Ca\n0.493799 0.640540 0.550617 Ca\n0.506201 0.859460 0.050617 Ca\n0.977374 0.402672 0.597103 Fe\n0.522626 0.902672 0.402897 Fe\n0.022626 0.597328 0.402897 Fe\n0.477374 0.097328 0.597103 Fe\n0.022626 0.097328 0.097103 Fe\n0.977374 0.902672 0.902897 Fe\n0.522626 0.402672 0.097103 Fe\n0.477374 0.597328 0.902897 Fe\n0.948895 0.845120 0.231402 Bi\n0.051105 0.154880 0.768598 Bi\n0.551105 0.345120 0.768598 Bi\n0.051105 0.654880 0.731402 Bi\n0.448895 0.154880 0.268598 Bi\n0.448895 0.654880 0.231402 Bi\n0.551105 0.845120 0.731402 Bi\n0.948895 0.345120 0.268598 Bi\n0.919670 0.321754 0.697491 O\n0.310279 0.045456 0.073921 O\n0.189721 0.545456 0.926079 O\n0.240532 0.768710 0.150690 O\n0.259468 0.268710 0.849310 O\n0.919670 0.821754 0.802509 O\n0.259468 0.768710 0.650690 O\n0.580330 0.821754 0.302509 O\n0.310279 0.545456 0.426079 O\n0.080330 0.678246 0.302509 O\n0.580330 0.321754 0.197491 O\n0.642690 0.182001 0.524459 O\n0.810279 0.954544 0.426079 O\n0.759468 0.731290 0.650690 O\n0.170079 0.026368 0.872735 O\n0.810279 0.454544 0.073921 O\n0.080330 0.178246 0.197491 O\n0.740532 0.231290 0.349310 O\n0.142690 0.817999 0.975541 O\n0.189721 0.045456 0.573921 O\n0.357310 0.817999 0.475541 O\n0.829921 0.973632 0.127265 O\n0.759468 0.231290 0.849310 O\n0.670079 0.973632 0.627265 O\n0.357310 0.317999 0.024459 O\n0.142690 0.317999 0.524459 O\n0.689721 0.454544 0.573921 O\n0.689721 0.954544 0.926079 O\n0.670079 0.473632 0.872735 O\n0.857310 0.682001 0.475541 O\n0.857310 0.182001 0.024459 O\n0.642690 0.682001 0.975541 O\n0.829921 0.473632 0.372735 O\n0.740532 0.731290 0.150690 O\n0.240532 0.268710 0.349310 O\n0.170079 0.526368 0.627265 O\n0.329921 0.526368 0.127265 O\n0.419670 0.178246 0.697491 O\n0.329921 0.026368 0.372735 O\n0.419670 0.678246 0.802509 O\n",
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"formula_full": "Ca8 Fe8 Bi8 O40",
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{
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"structure_string": "Sm4 Ti1 Fe33 N4\n1.0\n4.387604 2.527595 4.187315\n-4.328818 2.471574 4.159820\n-0.038052 -10.016169 8.357690\nSm Ti Fe N\n4 1 33 4\ndirect\n0.659482 0.657982 0.328959 Sm\n0.659294 0.657578 0.829487 Sm\n0.340794 0.342426 0.170911 Sm\n0.347504 0.348973 0.674155 Sm\n0.093989 0.092933 0.546534 Ti\n0.282279 0.716786 0.000663 Fe\n0.282517 0.713961 0.499747 Fe\n0.718310 0.998045 0.141899 Fe\n0.714738 0.996239 0.641966 Fe\n0.999759 0.292309 0.354154 Fe\n0.999920 0.289318 0.855486 Fe\n0.283048 0.999094 0.356735 Fe\n0.281229 0.002573 0.857988 Fe\n0.000279 0.711085 0.144231 Fe\n0.999636 0.707390 0.646381 Fe\n0.717755 0.283341 0.999149 Fe\n0.714576 0.282595 0.498740 Fe\n0.340464 0.346385 0.426690 Fe\n0.338935 0.345492 0.927718 Fe\n0.339930 0.854218 0.172213 Fe\n0.340721 0.853178 0.673355 Fe\n0.854388 0.343044 0.171697 Fe\n0.851997 0.344477 0.672434 Fe\n0.661243 0.654468 0.072506 Fe\n0.660825 0.654586 0.572418 Fe\n0.660478 0.145086 0.327180 Fe\n0.660304 0.145539 0.827619 Fe\n0.145300 0.656689 0.327910 Fe\n0.145301 0.656924 0.828594 Fe\n0.999978 0.999882 0.250199 Fe\n0.998568 0.999651 0.751251 Fe\n0.998443 0.503281 0.499885 Fe\n0.000079 0.499978 0.999876 Fe\n0.500059 0.999822 0.999788 Fe\n0.503273 0.998370 0.499375 Fe\n0.903642 0.905376 0.451232 Fe\n0.904523 0.904737 0.952696 Fe\n0.095109 0.094707 0.047937 Fe\n0.499843 0.499991 0.000134 N\n0.500924 0.500713 0.499941 N\n0.501827 0.000967 0.248949 N\n0.498734 0.999808 0.751217 N\n",
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{
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"structure_string": "Hf8 Fe16\n1.0\n2.469069 -4.276553 0.000000\n2.469069 4.276553 0.000000\n0.000000 0.000000 16.069032\nHf Fe\n8 16\ndirect\n0.000000 0.000000 0.405848 Hf\n0.000000 0.000000 0.594152 Hf\n0.000000 0.000000 0.905848 Hf\n0.000000 0.000000 0.094152 Hf\n0.333333 0.666667 0.656237 Hf\n0.666667 0.333333 0.343763 Hf\n0.666667 0.333333 0.156237 Hf\n0.333333 0.666667 0.843763 Hf\n0.333333 0.666667 0.374826 Fe\n0.666667 0.333333 0.625174 Fe\n0.666667 0.333333 0.874826 Fe\n0.333333 0.666667 0.125174 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.165018 0.834982 0.250000 Fe\n0.165018 0.330036 0.250000 Fe\n0.669964 0.834982 0.250000 Fe\n0.834982 0.165018 0.750000 Fe\n0.834982 0.669964 0.750000 Fe\n0.330036 0.165018 0.750000 Fe\n",
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{
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{
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"structure_string": "Rb3 Tb1 Mg1 V2 O8\n1.0\n-3.119898 -5.704113 -0.318128\n-2.547342 5.385207 0.332584\n0.049080 -0.455083 -8.963967\nRb Tb Mg V O\n3 1 1 2 8\ndirect\n0.589666 0.342132 0.186467 Rb\n0.314553 0.614520 0.770689 Rb\n0.927603 0.011892 0.999404 Rb\n0.046584 0.981241 0.525062 Tb\n0.905857 0.355841 0.447774 Mg\n0.644048 0.289842 0.727745 V\n0.369896 0.694230 0.278975 V\n0.771690 0.436102 0.901834 O\n0.351681 0.588819 0.089470 O\n0.764396 0.537005 0.578744 O\n0.233308 0.387826 0.403851 O\n0.822135 0.137657 0.643100 O\n0.102903 0.730463 0.339333 O\n0.297962 0.079553 0.709097 O\n0.680634 0.000377 0.323455 O\n",
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{
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"structure_string": "Li2 Mn4 O2 F6\n1.0\n-4.305761 4.444989 -0.058235\n-4.305559 -0.058036 4.445082\n0.110503 4.507289 4.507586\nLi Mn O F\n2 4 2 6\ndirect\n0.374912 0.375046 0.875024 Li\n0.374986 0.375017 0.375079 Li\n0.375332 0.874916 0.374920 Mn\n0.875169 0.374908 0.374950 Mn\n0.019402 0.019929 0.932365 Mn\n0.730061 0.730322 0.817642 Mn\n0.141351 0.141145 0.557888 O\n0.608896 0.608738 0.192106 O\n0.611343 0.611134 0.644612 F\n0.138730 0.138704 0.105415 F\n0.133396 0.602895 0.643707 F\n0.616507 0.147133 0.106354 F\n0.147000 0.616706 0.106202 F\n0.602914 0.133407 0.643737 F\n",
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{
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"structure_string": "Th4 N12 O56\n1.0\n12.433531 0.000000 0.000000\n0.000000 7.099313 0.000000\n0.000000 6.085137 13.434993\nTh N O\n4 12 56\ndirect\n0.662255 0.006947 0.556865 Th\n0.162255 0.993053 0.943135 Th\n0.337745 0.993053 0.443135 Th\n0.837745 0.006947 0.056865 Th\n0.691443 0.727361 0.009772 N\n0.191443 0.272639 0.490228 N\n0.308557 0.272639 0.990228 N\n0.808557 0.727361 0.509772 N\n0.655865 0.432045 0.398493 N\n0.155865 0.567955 0.101507 N\n0.344135 0.567955 0.601507 N\n0.844135 0.432045 0.898493 N\n0.540144 0.812675 0.745524 N\n0.040144 0.187325 0.754476 N\n0.459856 0.187325 0.254476 N\n0.959856 0.812675 0.245524 N\n0.720840 0.694444 0.099939 O\n0.220840 0.305556 0.400061 O\n0.279160 0.305556 0.900061 O\n0.779160 0.694444 0.599939 O\n0.728624 0.899010 0.941928 O\n0.228624 0.100990 0.558072 O\n0.271376 0.100990 0.058072 O\n0.771376 0.899010 0.441928 O\n0.634732 0.609198 0.990788 O\n0.134732 0.390802 0.509212 O\n0.365268 0.390802 0.009212 O\n0.865268 0.609198 0.490788 O\n0.667418 0.267362 0.381595 O\n0.167418 0.732638 0.118405 O\n0.332582 0.732638 0.618405 O\n0.832582 0.267362 0.881595 O\n0.655369 0.395100 0.493158 O\n0.155369 0.604900 0.006842 O\n0.344631 0.604900 0.506842 O\n0.844631 0.395100 0.993158 O\n0.646633 0.604059 0.332644 O\n0.146633 0.395941 0.167356 O\n0.353367 0.395941 0.667356 O\n0.853367 0.604059 0.832644 O\n0.605708 0.717307 0.707824 O\n0.105708 0.282693 0.792176 O\n0.394292 0.282693 0.292176 O\n0.894292 0.717307 0.207824 O\n0.544481 0.011434 0.701317 O\n0.044481 0.988566 0.798683 O\n0.455519 0.988566 0.298683 O\n0.955519 0.011434 0.201317 O\n0.518544 0.282034 0.184929 O\n0.018544 0.717966 0.315071 O\n0.481456 0.717966 0.815071 O\n0.981456 0.282034 0.684929 O\n0.735249 0.099303 0.207873 O\n0.235249 0.900697 0.292127 O\n0.264751 0.900697 0.792127 O\n0.764751 0.099303 0.707873 O\n0.728082 0.251536 0.717660 O\n0.228082 0.748464 0.782340 O\n0.271918 0.748464 0.282340 O\n0.771918 0.251536 0.217660 O\n0.604545 0.188246 0.992634 O\n0.104545 0.811754 0.507366 O\n0.395455 0.811754 0.007366 O\n0.895455 0.188246 0.492634 O\n0.565199 0.250918 0.908553 O\n0.065199 0.749082 0.591447 O\n0.434801 0.749082 0.091447 O\n0.934801 0.250918 0.408553 O\n0.518636 0.907223 0.491160 O\n0.018636 0.092777 0.008840 O\n0.481364 0.092777 0.508840 O\n0.981364 0.907223 0.991160 O\n",
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{
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"structure_string": "Li8 Co4 C8 O24\n1.0\n9.596595 0.000000 0.000000\n0.000000 7.689419 0.000000\n0.000000 2.788684 7.312551\nLi Co C O\n8 4 8 24\ndirect\n0.632302 0.452855 0.244477 Li\n0.139617 0.804573 0.923914 Li\n0.639617 0.195427 0.076086 Li\n0.132302 0.547145 0.755523 Li\n0.865761 0.015280 0.712120 Li\n0.363680 0.286171 0.420165 Li\n0.863680 0.713829 0.579835 Li\n0.365761 0.984720 0.287880 Li\n0.125137 0.325747 0.183526 Co\n0.625137 0.674253 0.816474 Co\n0.382166 0.821652 0.688860 Co\n0.882166 0.178348 0.311140 Co\n0.394071 0.448220 0.012710 C\n0.894071 0.551780 0.987290 C\n0.994350 0.084139 0.012276 C\n0.494350 0.915861 0.987724 C\n0.497963 0.593189 0.501432 C\n0.997963 0.406811 0.498568 C\n0.115197 0.951226 0.518514 C\n0.615197 0.048774 0.481486 C\n0.335642 0.336410 0.159052 O\n0.820363 0.450648 0.124019 O\n0.030778 0.545978 0.989573 O\n0.530778 0.454022 0.010427 O\n0.320363 0.549352 0.875981 O\n0.878103 0.104956 0.092020 O\n0.835642 0.663590 0.840948 O\n0.108875 0.160842 0.038371 O\n0.495297 0.013863 0.090753 O\n0.995297 0.986137 0.909247 O\n0.608875 0.839158 0.961629 O\n0.604121 0.581122 0.609079 O\n0.378103 0.895044 0.907980 O\n0.991618 0.511380 0.594986 O\n0.397087 0.711455 0.490431 O\n0.897087 0.288545 0.509569 O\n0.491618 0.488620 0.405014 O\n0.167147 0.827380 0.664096 O\n0.104121 0.418878 0.390921 O\n0.480773 0.050880 0.505383 O\n0.696452 0.929998 0.595381 O\n0.196452 0.070002 0.404619 O\n0.980773 0.949120 0.494617 O\n0.667147 0.172620 0.335904 O\n",
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}