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{
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{
"id": "mp-1097474",
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{
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{
"id": "mp-1102152",
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{
"id": "mp-1376405",
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"structure_string": "Ca4 Ni4 F20\n1.0\n10.065722 0.000000 0.000000\n0.000000 5.502635 0.000000\n0.000000 2.664055 7.222771\nCa Ni F\n4 4 20\ndirect\n0.021593 0.532871 0.743392 Ca\n0.521593 0.467129 0.756608 Ca\n0.978407 0.467129 0.256608 Ca\n0.478407 0.532871 0.243392 Ca\n0.753007 0.109705 0.598809 Ni\n0.253007 0.890295 0.901191 Ni\n0.246993 0.890295 0.401191 Ni\n0.746993 0.109705 0.098809 Ni\n0.879930 0.386771 0.556356 F\n0.379930 0.613229 0.943644 F\n0.120070 0.613229 0.443644 F\n0.620070 0.386771 0.056356 F\n0.614110 0.355428 0.505810 F\n0.114110 0.644572 0.994190 F\n0.385890 0.644572 0.494190 F\n0.885890 0.355428 0.005810 F\n0.393495 0.116771 0.811410 F\n0.893495 0.883229 0.688590 F\n0.606505 0.883229 0.188590 F\n0.106505 0.116771 0.311410 F\n0.137282 0.164624 0.861381 F\n0.637282 0.835376 0.638619 F\n0.862718 0.835376 0.138619 F\n0.362718 0.164624 0.361381 F\n0.701275 0.149986 0.837919 F\n0.201275 0.850014 0.662081 F\n0.298725 0.850014 0.162081 F\n0.798725 0.149986 0.337919 F\n",
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{
"id": "mp-775411",
"created_at": "2022-09-04T14:48:09.557863Z",
"structure_string": "Li5 Mn2 Fe17 O32\n1.0\n8.454379 0.000000 0.000000\n-0.012894 8.474472 0.000000\n-0.000209 -0.019468 8.477296\nLi Mn Fe O\n5 2 17 32\ndirect\n0.003948 0.497743 0.503482 Li\n0.875217 0.871175 0.624223 Li\n0.624098 0.124853 0.126028 Li\n0.372696 0.624379 0.374764 Li\n0.124462 0.376580 0.870693 Li\n0.872600 0.124975 0.373683 Mn\n0.876720 0.625645 0.869820 Mn\n0.002360 0.996751 0.002767 Fe\n0.874199 0.369883 0.122580 Fe\n0.749432 0.255099 0.743445 Fe\n0.752658 0.752430 0.249069 Fe\n0.622182 0.375127 0.369286 Fe\n0.629195 0.629698 0.620218 Fe\n0.628699 0.881740 0.874111 Fe\n0.501911 0.000416 0.502737 Fe\n0.501942 0.499027 0.999872 Fe\n0.374902 0.130593 0.880300 Fe\n0.362004 0.381979 0.623450 Fe\n0.380554 0.875473 0.130682 Fe\n0.245573 0.251134 0.251228 Fe\n0.244984 0.750024 0.747811 Fe\n0.120056 0.129865 0.630505 Fe\n0.130107 0.619014 0.131408 Fe\n0.125900 0.862449 0.381611 Fe\n0.880943 0.128998 0.607296 O\n0.881731 0.616801 0.110352 O\n0.870175 0.391815 0.883389 O\n0.882392 0.894170 0.372915 O\n0.876692 0.130465 0.139480 O\n0.862188 0.351125 0.360541 O\n0.861901 0.628559 0.651511 O\n0.866767 0.858834 0.879645 O\n0.643282 0.129870 0.376334 O\n0.640780 0.634327 0.869633 O\n0.634074 0.374689 0.133657 O\n0.624688 0.866039 0.635618 O\n0.614480 0.384718 0.613294 O\n0.622464 0.116591 0.872390 O\n0.616485 0.873822 0.115474 O\n0.633543 0.616716 0.384221 O\n0.386121 0.370338 0.381906 O\n0.384984 0.617727 0.630462 O\n0.372552 0.116593 0.116659 O\n0.383863 0.883664 0.884034 O\n0.368197 0.129995 0.634612 O\n0.379140 0.364604 0.866950 O\n0.366968 0.635107 0.118604 O\n0.368100 0.880726 0.365483 O\n0.140961 0.355303 0.629542 O\n0.136165 0.866919 0.132981 O\n0.128365 0.119548 0.866211 O\n0.123535 0.639069 0.359576 O\n0.107152 0.117755 0.381378 O\n0.104576 0.627572 0.882046 O\n0.113458 0.382752 0.123179 O\n0.126876 0.888735 0.616852 O\n",
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"formula_full": "Li5 Mn2 Fe17 O32",
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{
"id": "mp-27556",
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"structure_string": "Cs8 Nb8 O24\n1.0\n16.196465 0.000000 0.000000\n0.000000 5.206116 0.000000\n0.000000 0.501493 9.401567\nCs Nb O\n8 8 24\ndirect\n0.393696 0.113595 0.012289 Cs\n0.893696 0.886405 0.487711 Cs\n0.606304 0.886405 0.987711 Cs\n0.106304 0.113595 0.512289 Cs\n0.242368 0.596320 0.793486 Cs\n0.742368 0.403680 0.706514 Cs\n0.757632 0.403680 0.206514 Cs\n0.257632 0.596320 0.293486 Cs\n0.502226 0.528640 0.684160 Nb\n0.002226 0.471360 0.815840 Nb\n0.497774 0.471360 0.315840 Nb\n0.997774 0.528640 0.184160 Nb\n0.395456 0.038545 0.552913 Nb\n0.895456 0.961455 0.947087 Nb\n0.604544 0.961455 0.447087 Nb\n0.104544 0.038545 0.052913 Nb\n0.399213 0.252077 0.371128 O\n0.899213 0.747923 0.128872 O\n0.600787 0.747923 0.628872 O\n0.100787 0.252077 0.871128 O\n0.287831 0.938107 0.544586 O\n0.787831 0.061893 0.955414 O\n0.712169 0.061893 0.455414 O\n0.212169 0.938107 0.044586 O\n0.435359 0.821396 0.733816 O\n0.935359 0.178604 0.766184 O\n0.564641 0.178604 0.266184 O\n0.064641 0.821396 0.233816 O\n0.463922 0.749371 0.459517 O\n0.963922 0.250629 0.040483 O\n0.536078 0.250629 0.540483 O\n0.036078 0.749371 0.959517 O\n0.108143 0.326955 0.174956 O\n0.608143 0.673045 0.325044 O\n0.891857 0.673045 0.825044 O\n0.391857 0.326955 0.674956 O\n0.954650 0.394572 0.350133 O\n0.454650 0.605428 0.149867 O\n0.045350 0.605428 0.649867 O\n0.545350 0.394572 0.850133 O\n",
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{
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"structure_string": "Li8 Cu4 Si4 O16\n1.0\n5.147070 0.000000 0.000000\n0.000000 6.894600 0.000000\n0.000000 0.032869 10.095080\nLi Cu Si O\n8 4 4 16\ndirect\n0.243673 0.003641 0.844193 Li\n0.256327 0.003641 0.344193 Li\n0.378916 0.239433 0.657934 Li\n0.121084 0.239433 0.157934 Li\n0.878916 0.760567 0.842066 Li\n0.621084 0.760567 0.342066 Li\n0.743673 0.996359 0.655807 Li\n0.756327 0.996359 0.155807 Li\n0.273805 0.498972 0.866325 Cu\n0.773805 0.501028 0.633675 Cu\n0.226195 0.498972 0.366325 Cu\n0.726195 0.501028 0.133675 Cu\n0.748855 0.241472 0.898308 Si\n0.751145 0.241472 0.398308 Si\n0.248855 0.758528 0.601692 Si\n0.251145 0.758528 0.101692 Si\n0.862196 0.041442 0.839360 O\n0.637804 0.041442 0.339360 O\n0.434286 0.252383 0.860079 O\n0.711825 0.251073 0.560962 O\n0.065714 0.252383 0.360079 O\n0.888854 0.440302 0.832859 O\n0.788175 0.251073 0.060962 O\n0.611146 0.440302 0.332859 O\n0.388854 0.559698 0.667141 O\n0.211825 0.748927 0.939038 O\n0.111146 0.559698 0.167141 O\n0.934286 0.747617 0.639921 O\n0.288175 0.748927 0.439038 O\n0.565714 0.747617 0.139921 O\n0.362196 0.958558 0.660640 O\n0.137804 0.958558 0.160640 O\n",
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"structure_string": "Ca4 Mn6 Si6 O28\n1.0\n6.049049 0.000000 0.000000\n0.000000 8.670157 0.000000\n0.000000 3.053877 9.978024\nCa Mn Si O\n4 6 6 28\ndirect\n0.250000 0.331697 0.811624 Ca\n0.750000 0.668303 0.188376 Ca\n0.250000 0.238904 0.178721 Ca\n0.750000 0.761096 0.821279 Ca\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.250000 0.665603 0.997019 Si\n0.750000 0.334397 0.002981 Si\n0.250000 0.805885 0.307250 Si\n0.750000 0.194115 0.692750 Si\n0.250000 0.715882 0.689518 Si\n0.750000 0.284118 0.310482 Si\n0.250000 0.616086 0.850755 O\n0.750000 0.383914 0.149245 O\n0.250000 0.407348 0.440685 O\n0.750000 0.592652 0.559315 O\n0.250000 0.098965 0.557982 O\n0.750000 0.901035 0.442018 O\n0.250000 0.915651 0.417749 O\n0.750000 0.084349 0.582251 O\n0.481307 0.770378 0.996784 O\n0.518693 0.229622 0.003216 O\n0.981307 0.229622 0.003216 O\n0.018693 0.770378 0.996784 O\n0.250000 0.055995 0.888939 O\n0.750000 0.944005 0.111061 O\n0.250000 0.944938 0.156925 O\n0.750000 0.055062 0.843075 O\n0.474937 0.823361 0.659420 O\n0.525063 0.176639 0.340580 O\n0.974937 0.176639 0.340580 O\n0.025063 0.823361 0.659420 O\n0.470725 0.694492 0.336680 O\n0.529275 0.305508 0.663320 O\n0.970725 0.305508 0.663320 O\n0.029275 0.694492 0.336680 O\n0.250000 0.574989 0.611704 O\n0.750000 0.425011 0.388296 O\n0.250000 0.502240 0.116701 O\n0.750000 0.497760 0.883299 O\n",
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{
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{
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{
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"structure_string": "Mn8 P4 H36 C48 O36\n1.0\n15.917727 0.000000 0.000000\n0.000000 8.759340 0.000000\n0.000000 6.212644 12.926502\nMn P H C O\n8 4 36 48 36\ndirect\n0.686283 0.797002 0.666292 Mn\n0.813717 0.797002 0.166292 Mn\n0.313717 0.202998 0.333708 Mn\n0.186283 0.202998 0.833708 Mn\n0.822257 0.046806 0.626959 Mn\n0.677743 0.046806 0.126959 Mn\n0.177743 0.953194 0.373041 Mn\n0.322257 0.953194 0.873041 Mn\n0.584676 0.606122 0.681328 P\n0.915324 0.606122 0.181328 P\n0.415324 0.393878 0.318672 P\n0.084676 0.393878 0.818672 P\n0.629768 0.367763 0.838395 H\n0.870232 0.367763 0.338395 H\n0.370232 0.632237 0.161605 H\n0.129768 0.632237 0.661605 H\n0.543104 0.477864 0.862113 H\n0.956896 0.477864 0.362113 H\n0.456896 0.522136 0.137887 H\n0.043104 0.522136 0.637887 H\n0.525385 0.339057 0.801826 H\n0.974615 0.339057 0.301826 H\n0.474615 0.660943 0.198174 H\n0.025385 0.660943 0.698174 H\n0.662333 0.439367 0.612316 H\n0.837667 0.439367 0.112316 H\n0.337667 0.560633 0.387684 H\n0.162333 0.560633 0.887684 H\n0.551723 0.398831 0.616807 H\n0.948277 0.398831 0.116807 H\n0.448277 0.601169 0.383193 H\n0.051723 0.601169 0.883193 H\n0.594553 0.588970 0.516998 H\n0.905447 0.588970 0.016998 H\n0.405447 0.411030 0.483002 H\n0.094553 0.411030 0.983002 H\n0.459118 0.756944 0.691080 H\n0.040882 0.756944 0.191080 H\n0.540882 0.243056 0.308920 H\n0.959118 0.243056 0.808920 H\n0.475938 0.775341 0.563349 H\n0.024062 0.775341 0.063349 H\n0.524062 0.224659 0.436651 H\n0.975938 0.224659 0.936651 H\n0.435295 0.581967 0.661700 H\n0.064705 0.581967 0.161700 H\n0.564705 0.418033 0.338300 H\n0.935295 0.418033 0.838300 H\n0.672269 0.883801 0.525974 C\n0.827731 0.883801 0.025974 C\n0.327731 0.116199 0.474026 C\n0.172269 0.116199 0.974026 C\n0.767773 0.648078 0.665331 C\n0.732227 0.648078 0.165331 C\n0.232227 0.351922 0.334669 C\n0.267773 0.351922 0.834669 C\n0.697972 0.718782 0.807637 C\n0.802028 0.718782 0.307637 C\n0.302028 0.281218 0.192363 C\n0.197972 0.281218 0.692363 C\n0.610435 0.954151 0.666852 C\n0.889565 0.954151 0.166852 C\n0.389565 0.045849 0.333148 C\n0.110435 0.045849 0.833148 C\n0.870673 0.865048 0.735631 C\n0.629327 0.865048 0.235631 C\n0.129327 0.134952 0.264369 C\n0.370673 0.134952 0.764369 C\n0.762230 0.103500 0.717801 C\n0.737770 0.103500 0.217801 C\n0.237770 0.896500 0.282199 C\n0.262230 0.896500 0.782199 C\n0.755313 0.194832 0.521421 C\n0.744687 0.194832 0.021421 C\n0.244687 0.805168 0.478579 C\n0.255313 0.805168 0.978579 C\n0.867612 0.970187 0.536029 C\n0.632388 0.970187 0.036029 C\n0.132388 0.029813 0.463971 C\n0.367612 0.029813 0.963971 C\n0.906123 0.193730 0.610095 C\n0.593877 0.193730 0.110095 C\n0.093877 0.806270 0.389905 C\n0.406123 0.806270 0.889905 C\n0.569349 0.430352 0.808849 C\n0.930651 0.430352 0.308849 C\n0.430651 0.569648 0.191151 C\n0.069349 0.569648 0.691151 C\n0.599822 0.497664 0.598684 C\n0.900178 0.497664 0.098684 C\n0.400178 0.502336 0.401316 C\n0.099822 0.502336 0.901316 C\n0.478292 0.688453 0.646132 C\n0.021708 0.688453 0.146132 C\n0.521708 0.311547 0.353868 C\n0.978292 0.311547 0.853868 C\n0.657606 0.936581 0.437761 O\n0.842394 0.936581 0.937761 O\n0.342394 0.063419 0.562239 O\n0.157606 0.063419 0.062239 O\n0.817622 0.550244 0.665649 O\n0.682378 0.550244 0.165649 O\n0.182378 0.449756 0.334351 O\n0.317622 0.449756 0.834351 O\n0.703587 0.667726 0.897070 O\n0.796413 0.667726 0.397070 O\n0.296413 0.332274 0.102930 O\n0.203587 0.332274 0.602930 O\n0.560161 0.051868 0.666007 O\n0.939839 0.051868 0.166007 O\n0.439839 0.948132 0.333993 O\n0.060161 0.948132 0.833993 O\n0.903678 0.751944 0.802749 O\n0.596322 0.751944 0.302749 O\n0.096322 0.248056 0.197251 O\n0.403678 0.248056 0.697251 O\n0.725043 0.147071 0.771814 O\n0.774957 0.147071 0.271814 O\n0.274957 0.852929 0.228186 O\n0.225043 0.852929 0.728186 O\n0.714999 0.292158 0.454250 O\n0.785001 0.292158 0.954250 O\n0.285001 0.707842 0.545750 O\n0.214999 0.707842 0.045750 O\n0.898564 0.926358 0.478332 O\n0.601436 0.926358 0.978332 O\n0.101436 0.073642 0.521668 O\n0.398564 0.073642 0.021668 O\n0.960765 0.288538 0.599480 O\n0.539235 0.288538 0.099480 O\n0.039235 0.711462 0.400520 O\n0.460765 0.711462 0.900520 O\n",
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}