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{
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{
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{
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"structure_string": "Sr24 Ca8 Mn12 Fe20 O80\n1.0\n0.020252 -0.014809 11.147744\n11.306333 0.009063 0.021139\n-5.650961 15.792247 -5.604977\nSr Ca Mn Fe O\n24 8 12 20 80\ndirect\n0.307736 0.059009 0.608323 Sr\n0.307941 0.559191 0.608926 Sr\n0.807958 0.059736 0.609147 Sr\n0.808615 0.558697 0.610014 Sr\n0.195660 0.435362 0.389156 Sr\n0.199748 0.441794 0.893365 Sr\n0.197494 0.937888 0.389006 Sr\n0.697386 0.438158 0.389704 Sr\n0.700571 0.442144 0.893427 Sr\n0.697630 0.939301 0.389217 Sr\n0.700536 0.940906 0.893641 Sr\n0.056559 0.293998 0.109766 Sr\n0.057982 0.299444 0.608603 Sr\n0.058527 0.800942 0.609939 Sr\n0.557506 0.299499 0.608179 Sr\n0.557024 0.800176 0.110211 Sr\n0.557915 0.800298 0.608428 Sr\n0.445727 0.198798 0.387773 Sr\n0.450035 0.202226 0.893514 Sr\n0.443976 0.699126 0.386855 Sr\n0.449432 0.702017 0.893607 Sr\n0.946162 0.197726 0.386062 Sr\n0.950001 0.201399 0.893222 Sr\n0.945578 0.701549 0.388173 Sr\n0.301775 0.063200 0.104115 Ca\n0.300390 0.563978 0.105476 Ca\n0.804549 0.061643 0.105774 Ca\n0.800605 0.566722 0.104566 Ca\n0.202837 0.939577 0.898101 Ca\n0.056596 0.788675 0.103941 Ca\n0.553795 0.288323 0.103979 Ca\n0.953596 0.709131 0.897865 Ca\n0.113845 0.095160 0.753746 Mn\n0.110713 0.602322 0.753527 Mn\n0.606889 0.095473 0.246784 Mn\n0.613345 0.096570 0.752028 Mn\n0.615979 0.598274 0.751794 Mn\n0.359038 0.401286 0.246298 Mn\n0.363367 0.405402 0.752177 Mn\n0.352202 0.904273 0.244715 Mn\n0.360165 0.905071 0.753327 Mn\n0.864183 0.408711 0.753588 Mn\n0.861045 0.899468 0.246843 Mn\n0.866316 0.900038 0.752215 Mn\n0.007597 0.000171 0.003104 Fe\n0.003282 0.000141 0.499267 Fe\n0.005509 0.502576 0.002922 Fe\n0.003007 0.500162 0.500072 Fe\n0.505239 0.001771 0.002988 Fe\n0.502742 0.000254 0.499224 Fe\n0.507614 0.502841 0.006359 Fe\n0.503121 0.500785 0.499375 Fe\n0.256149 0.251907 0.003123 Fe\n0.253803 0.249936 0.500200 Fe\n0.254317 0.752155 0.002296 Fe\n0.252653 0.749935 0.499976 Fe\n0.756705 0.252602 0.005374 Fe\n0.752841 0.249721 0.499262 Fe\n0.757630 0.752565 0.003415 Fe\n0.753821 0.750053 0.500175 Fe\n0.106772 0.082577 0.243963 Fe\n0.103984 0.588340 0.245708 Fe\n0.604719 0.584315 0.244468 Fe\n0.850965 0.407006 0.244284 Fe\n0.124446 0.123655 0.493346 O\n0.127789 0.117610 0.990366 O\n0.122852 0.621902 0.492051 O\n0.121399 0.625538 0.991355 O\n0.624839 0.123863 0.495117 O\n0.626910 0.126616 0.998400 O\n0.624318 0.623507 0.492723 O\n0.627391 0.622264 0.994256 O\n0.136576 0.383347 0.012806 O\n0.129436 0.375860 0.503841 O\n0.134177 0.878952 0.011538 O\n0.129286 0.875730 0.503537 O\n0.636587 0.381085 0.017058 O\n0.629605 0.377060 0.504203 O\n0.636186 0.881279 0.010567 O\n0.628405 0.875317 0.502264 O\n0.374051 0.121435 0.493458 O\n0.375097 0.120895 0.994829 O\n0.373464 0.621836 0.493163 O\n0.374940 0.620866 0.997314 O\n0.875111 0.121900 0.494989 O\n0.876227 0.119517 0.995334 O\n0.873409 0.620007 0.491282 O\n0.879503 0.624618 0.995669 O\n0.387805 0.384158 0.016525 O\n0.379827 0.378294 0.504142 O\n0.379443 0.885288 0.009740 O\n0.379816 0.877825 0.504294 O\n0.882360 0.387240 0.014606 O\n0.878965 0.377385 0.502559 O\n0.887979 0.882561 0.013897 O\n0.880046 0.878258 0.504698 O\n0.096709 0.095156 0.138737 O\n0.078752 0.080404 0.637777 O\n0.091320 0.603593 0.140280 O\n0.070564 0.583227 0.635965 O\n0.580078 0.091562 0.135599 O\n0.575255 0.082766 0.636265 O\n0.592989 0.600882 0.140276 O\n0.575604 0.584549 0.635796 O\n0.438502 0.419435 0.361565 O\n0.441010 0.415169 0.867340 O\n0.433469 0.921344 0.360337 O\n0.444391 0.916815 0.867365 O\n0.935498 0.407348 0.355519 O\n0.939994 0.412466 0.867150 O\n0.939292 0.919516 0.363089 O\n0.944894 0.906604 0.866543 O\n0.327143 0.288707 0.136018 O\n0.325266 0.303078 0.636299 O\n0.324847 0.790859 0.135375 O\n0.320830 0.803501 0.636862 O\n0.835233 0.281087 0.141101 O\n0.829044 0.308133 0.637631 O\n0.828662 0.789531 0.135496 O\n0.825609 0.801323 0.635254 O\n0.190330 0.195050 0.355578 O\n0.192125 0.205346 0.866899 O\n0.185382 0.700922 0.356632 O\n0.193532 0.709191 0.867102 O\n0.682598 0.195115 0.362379 O\n0.690165 0.201026 0.867571 O\n0.688221 0.697764 0.355207 O\n0.697263 0.700876 0.866594 O\n0.430211 0.058750 0.238986 O\n0.440987 0.061351 0.751418 O\n0.430282 0.556457 0.238939 O\n0.444701 0.564087 0.752264 O\n0.934218 0.056552 0.239041 O\n0.942291 0.062098 0.752123 O\n0.924994 0.559026 0.238521 O\n0.940996 0.575475 0.760205 O\n0.181894 0.436352 0.248149 O\n0.191690 0.443118 0.752022 O\n0.174244 0.922251 0.240542 O\n0.190400 0.933603 0.760008 O\n0.673315 0.424469 0.240081 O\n0.691511 0.436392 0.750928 O\n0.690801 0.940852 0.248555 O\n0.695243 0.938660 0.752022 O\n",
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"formula_full": "Sr24 Ca8 Mn12 Fe20 O80",
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{
"id": "mp-1031055",
"created_at": "2022-09-04T14:39:49.141417Z",
"structure_string": "Li1 Mg6 W1 O8\n1.0\n8.743676 0.000000 0.000000\n0.000000 4.293333 0.000000\n0.000000 0.000000 4.293333\nLi Mg W O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.229850 0.000000 0.500000 Mg\n0.770150 0.000000 0.500000 Mg\n0.229850 0.500000 0.000000 Mg\n0.770150 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 W\n0.253754 0.000000 0.000000 O\n0.746246 0.000000 0.000000 O\n0.254560 0.500000 0.500000 O\n0.745440 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Li5 Mn6 B6 O18\n1.0\n6.211521 0.000000 0.000000\n-1.396859 7.805613 0.000000\n-2.060243 -4.048106 7.808812\nLi Mn B O\n5 6 6 18\ndirect\n0.444465 0.117854 0.060359 Li\n0.123401 0.783901 0.715045 Li\n0.888487 0.207917 0.277745 Li\n0.555366 0.875033 0.943686 Li\n0.778143 0.456800 0.389003 Li\n0.611618 0.851065 0.283130 Mn\n0.047873 0.795527 0.403476 Mn\n0.712501 0.471420 0.062252 Mn\n0.287292 0.524100 0.923421 Mn\n0.969485 0.212380 0.600472 Mn\n0.384084 0.141824 0.731917 Mn\n0.932203 0.190973 0.942959 B\n0.726947 0.469327 0.732310 B\n0.392828 0.133810 0.398871 B\n0.619208 0.874563 0.600918 B\n0.268880 0.539316 0.259179 B\n0.060022 0.797783 0.065316 B\n0.734108 0.033068 0.017647 O\n0.094077 0.249971 0.775535 O\n0.704123 0.364232 0.637148 O\n0.355665 0.028953 0.309309 O\n0.899032 0.638293 0.664285 O\n0.589575 0.292908 0.327059 O\n0.564547 0.389652 0.903914 O\n0.232447 0.068962 0.570042 O\n0.023950 0.695904 0.972433 O\n0.970111 0.300561 0.030197 O\n0.779210 0.936022 0.430155 O\n0.430521 0.597184 0.090957 O\n0.422577 0.719039 0.671835 O\n0.076279 0.374271 0.337258 O\n0.654675 0.984908 0.687858 O\n0.298083 0.652613 0.341311 O\n0.900421 0.730236 0.236509 O\n0.256367 0.956715 0.994841 O\n",
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{
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{
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"structure_string": "K2 Ba1 Ni1 N6 O12\n1.0\n5.471404 5.770950 0.000000\n-5.471404 5.770950 0.000000\n0.000000 5.630034 5.815493\nK Ba Ni N O\n2 1 1 6 12\ndirect\n0.755156 0.241057 0.503392 K\n0.241057 0.755156 0.503392 K\n0.514087 0.514087 0.991358 Ba\n0.908553 0.908553 0.100927 Ni\n0.775799 0.775799 0.426643 N\n0.785057 0.785057 0.011750 N\n0.830267 0.136158 0.022116 N\n0.136158 0.830267 0.022116 N\n0.233850 0.233850 0.026186 N\n0.226368 0.226368 0.526606 N\n0.830169 0.631735 0.003272 O\n0.827239 0.628837 0.540492 O\n0.628837 0.827239 0.540492 O\n0.631735 0.830169 0.003272 O\n0.200180 0.693468 0.109149 O\n0.693468 0.200180 0.109149 O\n0.204637 0.406500 0.924609 O\n0.406500 0.204637 0.924609 O\n0.394731 0.193102 0.497000 O\n0.193102 0.394731 0.497000 O\n0.097618 0.097618 0.230609 O\n0.096751 0.096751 0.572080 O\n",
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{
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{
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.948878 0.000000 0.000000\n-0.413195 10.157147 0.000000\n-0.923992 -4.355260 9.654791\nLi Mn Co O\n9 2 5 16\ndirect\n0.130620 0.935999 0.250459 Li\n0.880030 0.062069 0.753812 Li\n0.619800 0.195198 0.255361 Li\n0.628366 0.687994 0.251905 Li\n0.372739 0.809317 0.746047 Li\n0.134468 0.441251 0.252744 Li\n0.868012 0.553761 0.739906 Li\n0.359153 0.317333 0.743693 Li\n0.268032 0.377880 0.509652 Li\n0.002362 0.000219 0.000837 Mn\n0.744710 0.130982 0.501172 Mn\n0.495101 0.250172 0.998385 Co\n0.998818 0.499832 0.999077 Co\n0.753599 0.614324 0.496984 Co\n0.503864 0.750482 0.001916 Co\n0.238919 0.871839 0.497288 Co\n0.600793 0.966756 0.120737 O\n0.274185 0.085441 0.605307 O\n0.071549 0.215101 0.117497 O\n0.066346 0.717203 0.116112 O\n0.831043 0.829884 0.607064 O\n0.565470 0.467908 0.114716 O\n0.343513 0.599082 0.615567 O\n0.813069 0.324360 0.617747 O\n0.652038 0.913140 0.387892 O\n0.403152 0.033284 0.878916 O\n0.211641 0.152288 0.390335 O\n0.175273 0.664573 0.387726 O\n0.937593 0.786246 0.886360 O\n0.692875 0.431823 0.384961 O\n0.430529 0.533090 0.884122 O\n0.932341 0.281171 0.885701 O\n",
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}