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{
"id": "mp-1213570",
"created_at": "2022-09-04T14:44:07.391527Z",
"structure_string": "Cs4 Na4 Mo12 O40\n1.0\n0.000000 -7.683812 0.000000\n-7.945926 0.000000 0.000000\n0.000000 0.000000 -19.338955\nCs Na Mo O\n4 4 12 40\ndirect\n0.750000 0.589582 0.726485 Cs\n0.250000 0.410418 0.273515 Cs\n0.250000 0.910418 0.226485 Cs\n0.750000 0.089582 0.773515 Cs\n0.750000 0.684721 0.445505 Na\n0.250000 0.315279 0.554495 Na\n0.250000 0.815279 0.945505 Na\n0.750000 0.184721 0.054495 Na\n0.496601 0.904807 0.587744 Mo\n0.503399 0.095193 0.412256 Mo\n0.503399 0.595193 0.087744 Mo\n0.996601 0.095193 0.412256 Mo\n0.496601 0.404807 0.912256 Mo\n0.003399 0.904807 0.587744 Mo\n0.003399 0.404807 0.912256 Mo\n0.996601 0.595193 0.087744 Mo\n0.750000 0.736462 0.954750 Mo\n0.250000 0.263538 0.045250 Mo\n0.250000 0.763538 0.454750 Mo\n0.750000 0.236462 0.545250 Mo\n0.750000 0.593253 0.058970 O\n0.250000 0.406747 0.941030 O\n0.250000 0.906747 0.558970 O\n0.750000 0.093253 0.441030 O\n0.750000 0.784594 0.866289 O\n0.250000 0.215406 0.133711 O\n0.250000 0.715406 0.366289 O\n0.750000 0.284594 0.633711 O\n0.988813 0.657041 0.969662 O\n0.011187 0.342959 0.030338 O\n0.011187 0.842959 0.469662 O\n0.488813 0.342959 0.030338 O\n0.988813 0.157041 0.530338 O\n0.511187 0.657041 0.969662 O\n0.511187 0.157041 0.530338 O\n0.488813 0.842959 0.469662 O\n0.750000 0.930425 0.996665 O\n0.250000 0.069575 0.003335 O\n0.250000 0.569575 0.496665 O\n0.750000 0.430425 0.503335 O\n0.465591 0.003093 0.667238 O\n0.534409 0.996907 0.332762 O\n0.534409 0.496907 0.167238 O\n0.965591 0.996907 0.332762 O\n0.465591 0.503093 0.832762 O\n0.034409 0.003093 0.667238 O\n0.034409 0.503093 0.832762 O\n0.965591 0.496907 0.167238 O\n0.750000 0.948669 0.575034 O\n0.250000 0.051331 0.424966 O\n0.250000 0.551331 0.075034 O\n0.750000 0.448669 0.924966 O\n0.982379 0.693105 0.608832 O\n0.017621 0.306895 0.391168 O\n0.017621 0.806895 0.108832 O\n0.482379 0.306895 0.391168 O\n0.982379 0.193105 0.891168 O\n0.517621 0.693105 0.608832 O\n0.517621 0.193105 0.891168 O\n0.482379 0.806895 0.108832 O\n",
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"spacegroup": 62
},
{
"id": "mp-1247650",
"created_at": "2022-09-04T14:44:07.404053Z",
"structure_string": "Sr4 Ca28 Mn28 Cr4 O80\n1.0\n11.029509 -0.029262 -0.158701\n-0.036767 15.442119 -0.003709\n-0.155288 0.002020 11.158396\nSr Ca Mn Cr O\n4 28 28 4 80\ndirect\n0.000769 0.111922 0.509895 Sr\n0.512662 0.376680 0.992779 Sr\n0.240916 0.389194 0.262999 Sr\n0.229814 0.121280 0.249279 Sr\n0.996643 0.111879 0.008325 Ca\n0.004958 0.612876 0.507183 Ca\n0.998466 0.612418 0.011302 Ca\n0.542900 0.129239 0.481236 Ca\n0.548450 0.127879 0.983138 Ca\n0.542800 0.629766 0.481767 Ca\n0.543451 0.628654 0.982560 Ca\n0.516261 0.372774 0.491632 Ca\n0.520132 0.872793 0.988011 Ca\n0.519425 0.874727 0.489302 Ca\n0.961742 0.385808 0.005598 Ca\n0.957767 0.387216 0.506298 Ca\n0.957542 0.879925 0.008085 Ca\n0.958938 0.882549 0.503304 Ca\n0.234193 0.396427 0.757214 Ca\n0.231778 0.890776 0.271482 Ca\n0.232595 0.891312 0.769867 Ca\n0.758416 0.381963 0.257167 Ca\n0.756918 0.372571 0.756763 Ca\n0.758495 0.872996 0.258759 Ca\n0.753806 0.873842 0.755388 Ca\n0.224684 0.115075 0.744718 Ca\n0.227383 0.619631 0.243310 Ca\n0.224521 0.621720 0.748337 Ca\n0.775741 0.116532 0.251085 Ca\n0.782232 0.121817 0.754454 Ca\n0.781386 0.624375 0.251882 Ca\n0.781536 0.622354 0.754713 Ca\n0.995106 0.993462 0.758964 Mn\n0.995456 0.498376 0.257169 Mn\n0.994121 0.497152 0.754450 Mn\n0.504551 0.987411 0.231578 Mn\n0.505711 0.989573 0.736848 Mn\n0.507748 0.496957 0.238219 Mn\n0.502553 0.492198 0.733895 Mn\n0.245509 0.996478 0.522296 Mn\n0.240533 0.503768 0.017418 Mn\n0.246063 0.504784 0.521430 Mn\n0.746483 0.000887 0.997477 Mn\n0.743755 0.001828 0.499422 Mn\n0.746972 0.503333 0.997983 Mn\n0.742831 0.503498 0.498940 Mn\n0.270561 0.247354 0.473061 Mn\n0.271922 0.744898 0.959834 Mn\n0.275024 0.742665 0.459209 Mn\n0.759516 0.248390 0.004575 Mn\n0.752167 0.248895 0.504650 Mn\n0.756569 0.746656 0.000791 Mn\n0.756392 0.746554 0.503438 Mn\n0.997804 0.254112 0.764838 Mn\n0.996345 0.752336 0.261963 Mn\n0.994855 0.752740 0.760049 Mn\n0.517660 0.251527 0.252763 Mn\n0.507312 0.248089 0.752404 Mn\n0.512815 0.746754 0.249336 Mn\n0.512068 0.746150 0.749386 Mn\n0.994842 0.996503 0.254630 Cr\n0.238412 0.995987 0.019007 Cr\n0.266709 0.241096 0.946561 Cr\n0.985505 0.253326 0.271796 Cr\n0.594283 0.251424 0.097694 O\n0.582765 0.254376 0.597146 O\n0.587583 0.754406 0.091062 O\n0.585703 0.755224 0.592380 O\n0.401038 0.199584 0.358046 O\n0.394746 0.181999 0.859961 O\n0.399960 0.679157 0.348021 O\n0.399996 0.683718 0.851411 O\n0.905580 0.237596 0.406615 O\n0.910399 0.236793 0.921006 O\n0.905800 0.733841 0.418723 O\n0.907272 0.733647 0.917864 O\n0.146217 0.252937 0.326156 O\n0.175095 0.255544 0.799766 O\n0.164659 0.751870 0.308819 O\n0.162283 0.754088 0.807744 O\n0.660230 0.226069 0.355135 O\n0.658627 0.229657 0.856147 O\n0.659851 0.727206 0.355932 O\n0.659510 0.725330 0.853479 O\n0.865277 0.276523 0.151034 O\n0.864082 0.272437 0.646748 O\n0.856292 0.771001 0.149875 O\n0.856280 0.773370 0.649597 O\n0.356846 0.512127 0.154044 O\n0.346898 0.513627 0.669225 O\n0.350314 0.006093 0.161229 O\n0.346474 0.003571 0.670480 O\n0.851919 0.484942 0.138039 O\n0.845332 0.481150 0.640608 O\n0.849845 0.978860 0.141736 O\n0.856473 0.983043 0.647891 O\n0.148213 0.005542 0.373198 O\n0.148562 0.008793 0.867045 O\n0.157268 0.512756 0.373044 O\n0.153842 0.508879 0.868765 O\n0.622572 0.025902 0.344330 O\n0.632908 0.024716 0.848903 O\n0.634422 0.527735 0.349437 O\n0.626625 0.522162 0.848757 O\n0.879508 0.012115 0.389515 O\n0.886582 0.014751 0.894851 O\n0.885273 0.518559 0.394099 O\n0.886719 0.518101 0.890610 O\n0.098010 0.475495 0.122462 O\n0.096564 0.473525 0.621208 O\n0.102699 0.970130 0.115807 O\n0.098977 0.970136 0.625767 O\n0.602320 0.500207 0.093801 O\n0.588475 0.496828 0.584731 O\n0.595020 0.995688 0.085130 O\n0.592590 0.996828 0.587717 O\n0.987734 0.378635 0.300526 O\n0.995634 0.375558 0.798483 O\n0.994965 0.873178 0.296349 O\n0.991358 0.874650 0.801084 O\n0.481723 0.376945 0.281136 O\n0.463455 0.373756 0.775924 O\n0.475415 0.871960 0.284638 O\n0.481800 0.870866 0.782412 O\n0.994958 0.128021 0.221529 O\n0.003172 0.127592 0.732640 O\n0.000469 0.627566 0.222070 O\n0.999507 0.628021 0.718330 O\n0.216482 0.138887 0.027562 O\n0.233000 0.128962 0.538029 O\n0.215714 0.633722 0.035565 O\n0.220279 0.633847 0.541229 O\n0.757618 0.125156 0.037918 O\n0.753105 0.124806 0.540717 O\n0.753523 0.625529 0.038872 O\n0.749504 0.625687 0.544575 O\n0.299493 0.377489 0.499786 O\n0.280541 0.360461 0.998065 O\n0.299585 0.875529 0.486352 O\n0.299499 0.877229 0.982436 O\n0.738119 0.378386 0.466312 O\n0.745637 0.377569 0.966718 O\n0.740865 0.874196 0.468603 O\n0.741824 0.872493 0.964614 O\n",
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],
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"formula_full": "Sr4 Ca28 Mn28 Cr4 O80",
"formula_reduced": "SrCa7Mn7CrO20",
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{
"id": "mp-1191459",
"created_at": "2022-09-04T14:44:07.406802Z",
"structure_string": "K2 Zn2 B6 O12\n1.0\n6.851225 0.000000 0.000000\n2.466347 6.547099 0.000000\n2.117425 2.647109 6.292807\nK Zn B O\n2 2 6 12\ndirect\n0.743473 0.204221 0.420528 K\n0.256527 0.795779 0.579472 K\n0.325365 0.147974 0.872362 Zn\n0.674635 0.852026 0.127638 Zn\n0.244383 0.319547 0.433561 B\n0.755617 0.680453 0.566439 B\n0.297199 0.682027 0.167257 B\n0.702801 0.317973 0.832743 B\n0.096740 0.493946 0.094556 B\n0.903260 0.506054 0.905444 B\n0.138610 0.416757 0.917382 O\n0.861390 0.583243 0.082618 O\n0.279164 0.149681 0.619105 O\n0.720836 0.850319 0.380895 O\n0.371838 0.858714 0.118719 O\n0.628162 0.141286 0.881281 O\n0.802470 0.329303 0.966804 O\n0.197530 0.670697 0.033196 O\n0.138908 0.313615 0.298055 O\n0.861092 0.686385 0.701945 O\n0.323282 0.506649 0.365952 O\n0.676718 0.493351 0.634048 O\n",
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{
"id": "mp-1229090",
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{
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{
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"structure_string": "Fe12 O12 F12\n1.0\n3.116016 0.000000 0.000000\n0.000000 9.466730 0.000000\n0.000000 0.050060 14.255692\nFe O F\n12 12 12\ndirect\n0.000000 0.984936 0.999927 Fe\n0.000000 0.978253 0.324867 Fe\n0.000000 0.997251 0.673357 Fe\n0.500000 0.767050 0.162467 Fe\n0.500000 0.785100 0.501146 Fe\n0.500000 0.779663 0.833820 Fe\n0.000000 0.486975 0.330302 Fe\n0.000000 0.476739 0.989263 Fe\n0.000000 0.496083 0.673637 Fe\n0.500000 0.238454 0.186758 Fe\n0.500000 0.257740 0.487867 Fe\n0.500000 0.250122 0.822394 Fe\n0.500000 0.893908 0.267832 O\n0.500000 0.910959 0.603709 O\n0.500000 0.906705 0.938392 O\n0.000000 0.846062 0.100884 O\n0.000000 0.843226 0.769905 O\n0.000000 0.851097 0.434667 O\n0.500000 0.405635 0.267933 O\n0.500000 0.394769 0.931362 O\n0.000000 0.350240 0.436359 O\n0.000000 0.353089 0.762823 O\n0.000000 0.144732 0.236353 O\n0.500000 0.101865 0.733375 O\n0.000000 0.649657 0.230662 F\n0.000000 0.647366 0.570180 F\n0.000000 0.649276 0.900170 F\n0.500000 0.588087 0.063358 F\n0.500000 0.600676 0.399025 F\n0.500000 0.599556 0.732887 F\n0.500000 0.406508 0.600582 F\n0.000000 0.343047 0.103034 F\n0.000000 0.151685 0.901133 F\n0.000000 0.162885 0.562556 F\n0.500000 0.104677 0.066037 F\n0.500000 0.095919 0.400977 F\n",
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{
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