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{
"id": "mp-777641",
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"structure_string": "Li24 Mn7 Cr5 O36\n1.0\n5.007633 0.000000 0.000000\n-0.791223 9.715467 0.000000\n-2.392858 -1.823706 12.935913\nLi Mn Cr O\n24 7 5 36\ndirect\n0.166973 0.000103 0.833221 Li\n0.050373 0.000262 0.612899 Li\n0.999260 0.749541 0.250435 Li\n0.330729 0.750424 0.917737 Li\n0.047677 0.500511 0.113400 Li\n0.381028 0.500165 0.778132 Li\n0.165940 0.500355 0.333944 Li\n0.499343 0.500125 0.000196 Li\n0.288464 0.500231 0.553455 Li\n0.331298 0.250588 0.417638 Li\n0.498321 0.000013 0.500195 Li\n0.279381 0.998399 0.052551 Li\n0.618367 0.998581 0.718089 Li\n0.379767 0.998222 0.279730 Li\n0.721909 0.002180 0.948326 Li\n0.662601 0.750187 0.584148 Li\n0.713734 0.498795 0.444600 Li\n0.831481 0.500425 0.666614 Li\n0.624056 0.503278 0.223091 Li\n0.951118 0.498168 0.886502 Li\n0.668365 0.249110 0.082844 Li\n0.832505 0.999506 0.166731 Li\n0.997492 0.250455 0.750509 Li\n0.955559 0.001424 0.386841 Li\n0.108315 0.248458 0.971512 Mn\n0.223679 0.750252 0.693953 Mn\n0.558148 0.251746 0.862039 Mn\n0.444156 0.749685 0.138976 Mn\n0.553302 0.748479 0.359531 Mn\n0.890433 0.249931 0.527201 Mn\n0.892371 0.751179 0.028925 Mn\n0.103247 0.750549 0.473009 Cr\n0.225748 0.247847 0.192050 Cr\n0.438968 0.249916 0.640411 Cr\n0.772753 0.749787 0.807463 Cr\n0.774254 0.251995 0.307167 Cr\n0.003626 0.863043 0.931543 O\n0.070034 0.636454 0.784493 O\n0.004552 0.363521 0.431106 O\n0.145907 0.360820 0.642089 O\n0.263329 0.363723 0.881525 O\n0.336267 0.863746 0.597521 O\n0.068952 0.135529 0.283464 O\n0.186202 0.137000 0.522272 O\n0.403259 0.136551 0.952011 O\n0.143168 0.861169 0.143471 O\n0.264901 0.863905 0.382103 O\n0.479963 0.861266 0.808869 O\n0.339441 0.139114 0.738393 O\n0.191367 0.638177 0.024122 O\n0.403108 0.636668 0.450707 O\n0.518586 0.636677 0.688657 O\n0.331684 0.638071 0.237412 O\n0.672413 0.638739 0.905002 O\n0.327746 0.360644 0.094927 O\n0.669405 0.363397 0.764637 O\n0.482814 0.362208 0.309287 O\n0.598571 0.363477 0.548920 O\n0.809046 0.361400 0.977000 O\n0.665409 0.861410 0.261119 O\n0.516389 0.137301 0.190286 O\n0.736891 0.136361 0.617826 O\n0.857185 0.138746 0.856528 O\n0.596953 0.863253 0.048298 O\n0.810589 0.861378 0.473964 O\n0.931965 0.863859 0.715603 O\n0.670799 0.139072 0.404018 O\n0.736239 0.635896 0.118490 O\n0.850496 0.636813 0.355170 O\n0.004527 0.639281 0.570577 O\n0.931766 0.363956 0.216097 O\n0.995337 0.136500 0.068431 O\n",
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"formula_full": "Li24 Mn7 Cr5 O36",
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{
"id": "mp-1232160",
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"structure_string": "Tb2 Mg2 S6\n1.0\n5.705932 3.935010 0.000000\n-5.705932 3.935010 0.000000\n0.000000 3.415153 5.849796\nTb Mg S\n2 2 6\ndirect\n0.781276 0.781276 0.249358 Tb\n0.218724 0.218724 0.750642 Tb\n0.338682 0.661318 0.000000 Mg\n0.661318 0.338682 0.000000 Mg\n0.224396 0.919671 0.152821 S\n0.775604 0.080329 0.847179 S\n0.080329 0.775604 0.847179 S\n0.919671 0.224396 0.152821 S\n0.578704 0.578704 0.711292 S\n0.421296 0.421296 0.288708 S\n",
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"density_atomic": 0.038067718669491456,
"volume": 262.68976312505646,
"volume_molar": 15.819547297501474,
"formula_full": "Tb2 Mg2 S6",
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"formula_anonymous": "ABC3",
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{
"id": "mp-556550",
"created_at": "2022-09-04T14:48:27.707874Z",
"structure_string": "Li4 Ni2 O6\n1.0\n4.238849 2.449622 0.000000\n-4.238849 2.449622 0.000000\n0.000000 1.641016 4.727106\nLi Ni O\n4 2 6\ndirect\n0.337737 0.662263 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.662263 0.337737 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.166855 0.833145 0.000000 Ni\n0.833145 0.166855 0.000000 Ni\n0.067953 0.426709 0.220999 O\n0.932047 0.573291 0.779001 O\n0.216506 0.216506 0.775611 O\n0.426709 0.067953 0.220999 O\n0.573291 0.932047 0.779001 O\n0.783494 0.783494 0.224389 O\n",
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"volume": 98.16854550953363,
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"formula_full": "Li4 Ni2 O6",
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{
"id": "mp-1045892",
"created_at": "2022-09-04T14:48:27.708288Z",
"structure_string": "Al1 Cu3 W4 O12\n1.0\n6.614128 0.000000 0.000000\n-2.204640 6.328846 0.000000\n-2.143007 -3.125710 5.529889\nAl Cu W O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.821915 0.514659 0.698128 O\n0.178085 0.485341 0.301872 O\n0.812725 0.113951 0.299481 O\n0.290342 0.795205 0.101035 O\n0.493366 0.319864 0.197470 O\n0.109788 0.286205 0.808250 O\n0.692875 0.824982 0.518626 O\n0.506634 0.680136 0.802530 O\n0.187275 0.886049 0.700519 O\n0.709658 0.204795 0.898965 O\n0.890212 0.713795 0.191750 O\n0.307125 0.175018 0.481374 O\n",
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"elements": [
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{
"id": "mp-29692",
"created_at": "2022-09-04T14:48:27.731541Z",
"structure_string": "K8 Te4 S12\n1.0\n9.304366 0.000000 0.000000\n0.000000 6.487033 0.000000\n0.000000 6.249903 13.441400\nK Te S\n8 4 12\ndirect\n0.112359 0.007039 0.746903 K\n0.387641 0.007039 0.246903 K\n0.887641 0.992961 0.253097 K\n0.612359 0.992961 0.753097 K\n0.368836 0.662918 0.584107 K\n0.868836 0.337082 0.915893 K\n0.631164 0.337082 0.415893 K\n0.131164 0.662918 0.084107 K\n0.682176 0.720685 0.080799 Te\n0.182176 0.279315 0.419201 Te\n0.317824 0.279315 0.919201 Te\n0.817824 0.720685 0.580799 Te\n0.857447 0.072621 0.589203 S\n0.642553 0.072621 0.089203 S\n0.142553 0.927379 0.410797 S\n0.357447 0.927379 0.910797 S\n0.663373 0.814557 0.440621 S\n0.163373 0.185443 0.059379 S\n0.336627 0.185443 0.559379 S\n0.836627 0.814557 0.940621 S\n0.659325 0.530119 0.717328 S\n0.159325 0.469881 0.782672 S\n0.340675 0.469881 0.282672 S\n0.840675 0.530119 0.217328 S\n",
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"elements": [
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],
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"formula_full": "K8 Te4 S12",
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{
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"structure_string": "Ba8 Y4 F28\n1.0\n13.228544 0.000000 0.000000\n0.000000 5.931840 0.000000\n0.000000 0.102163 8.923638\nBa Y F\n8 4 28\ndirect\n0.220342 0.734469 0.052633 Ba\n0.562518 0.737829 0.176600 Ba\n0.062518 0.262171 0.323400 Ba\n0.720342 0.265531 0.447367 Ba\n0.279658 0.734469 0.552633 Ba\n0.937482 0.737829 0.676600 Ba\n0.437482 0.262171 0.823400 Ba\n0.779658 0.265531 0.947367 Ba\n0.874361 0.779046 0.215782 Y\n0.374361 0.220954 0.284218 Y\n0.625639 0.779046 0.715782 Y\n0.125639 0.220954 0.784218 Y\n0.139858 0.294112 0.027280 F\n0.394395 0.008360 0.076209 F\n0.395203 0.478732 0.092130 F\n0.924704 0.118821 0.130992 F\n0.746558 0.519842 0.196604 F\n0.731713 0.991363 0.204816 F\n0.038549 0.700213 0.211841 F\n0.538549 0.299787 0.288159 F\n0.231713 0.008637 0.295184 F\n0.246558 0.480158 0.303396 F\n0.424704 0.881179 0.369008 F\n0.895203 0.521268 0.407870 F\n0.894395 0.991640 0.423791 F\n0.639858 0.705888 0.472720 F\n0.360142 0.294112 0.527280 F\n0.105605 0.008360 0.576209 F\n0.104797 0.478732 0.592130 F\n0.575296 0.118821 0.630992 F\n0.753442 0.519842 0.696604 F\n0.768287 0.991363 0.704816 F\n0.461451 0.700213 0.711841 F\n0.961451 0.299787 0.788159 F\n0.268287 0.008637 0.795184 F\n0.253442 0.480158 0.803396 F\n0.075296 0.881179 0.869008 F\n0.604797 0.521268 0.907870 F\n0.605605 0.991640 0.923791 F\n0.860142 0.705888 0.972720 F\n",
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{
"id": "mp-765080",
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"structure_string": "Li10 V6 P16 O58\n1.0\n9.796551 0.000000 0.000000\n4.891590 8.497841 0.000000\n0.037107 0.007996 13.905631\nLi V P O\n10 6 16 58\ndirect\n0.674832 0.096242 0.437641 Li\n0.231139 0.680391 0.437061 Li\n0.337160 0.332742 0.117967 Li\n0.090780 0.684179 0.942297 Li\n0.225967 0.086118 0.939962 Li\n0.908076 0.772247 0.558814 Li\n0.095159 0.227011 0.439203 Li\n0.772917 0.908250 0.061740 Li\n0.905262 0.318892 0.059882 Li\n0.771988 0.322099 0.559140 Li\n0.999691 0.568313 0.749739 V\n0.998409 0.433456 0.249973 V\n0.565798 0.000451 0.251993 V\n0.436048 0.992969 0.745140 V\n0.562601 0.432846 0.756750 V\n0.434606 0.571094 0.246255 V\n0.683243 0.229089 0.158045 P\n0.682147 0.088658 0.659509 P\n0.232883 0.681635 0.654850 P\n0.330406 0.331493 0.873309 P\n0.332127 0.336721 0.373624 P\n0.090762 0.680353 0.158244 P\n0.912240 0.768109 0.342178 P\n0.230005 0.088673 0.154479 P\n0.768358 0.912679 0.843936 P\n0.088762 0.231549 0.659092 P\n0.910405 0.320508 0.841483 P\n0.669398 0.662423 0.627356 P\n0.668902 0.667463 0.125329 P\n0.766648 0.318370 0.344055 P\n0.313604 0.916382 0.341392 P\n0.313693 0.771519 0.841201 P\n0.755272 0.241446 0.435059 O\n0.661109 0.255634 0.660540 O\n0.758332 0.993962 0.935294 O\n0.663718 0.080452 0.159523 O\n0.515743 0.373234 0.173748 O\n0.481248 0.331954 0.828840 O\n0.383389 0.521784 0.679497 O\n0.231471 0.761127 0.927788 O\n0.256208 0.661861 0.159834 O\n0.485800 0.187277 0.333903 O\n0.521082 0.096874 0.676945 O\n0.328269 0.487507 0.331890 O\n0.334188 0.332059 0.980995 O\n0.329371 0.335041 0.480946 O\n0.185401 0.485330 0.835031 O\n0.372703 0.113547 0.175032 O\n0.330718 0.182166 0.833495 O\n0.084902 0.662336 0.660728 O\n0.000134 0.789440 0.249650 O\n0.002192 0.757659 0.432034 O\n0.998276 0.756615 0.069103 O\n0.111419 0.513740 0.173903 O\n0.183148 0.331606 0.331373 O\n0.915609 0.745556 0.838686 O\n0.097350 0.382046 0.676311 O\n0.256608 0.086394 0.665609 O\n0.790742 0.001232 0.751091 O\n0.757945 0.000497 0.568578 O\n0.231603 0.010081 0.427467 O\n0.748194 0.918383 0.341793 O\n0.900298 0.619956 0.325899 O\n0.079640 0.254002 0.158308 O\n0.814085 0.673039 0.666933 O\n0.900317 0.479534 0.823677 O\n0.997536 0.241008 0.931315 O\n0.001672 0.240125 0.568955 O\n0.999919 0.208293 0.750275 O\n0.914968 0.334278 0.342692 O\n0.672316 0.815137 0.165569 O\n0.617092 0.904493 0.820827 O\n0.819811 0.514426 0.168685 O\n0.675382 0.659556 0.018586 O\n0.665488 0.666699 0.520611 O\n0.669554 0.513363 0.669735 O\n0.475262 0.907770 0.322613 O\n0.518381 0.813506 0.673576 O\n0.742905 0.341012 0.834910 O\n0.785401 0.206446 0.254604 O\n0.768527 0.238595 0.072951 O\n0.616210 0.477469 0.325609 O\n0.524022 0.665574 0.171266 O\n0.477093 0.618364 0.824501 O\n0.338905 0.915869 0.839201 O\n0.242284 0.004675 0.063521 O\n0.212699 0.995934 0.244967 O\n0.336564 0.748695 0.340371 O\n0.244385 0.750774 0.562728 O\n0.212403 0.794084 0.745053 O\n",
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{
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{
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{
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"structure_string": "Sr4 Fe2 Sb2 O12\n1.0\n0.000049 5.667849 -0.000039\n-5.700760 -0.000049 -0.000366\n0.001911 -0.000055 7.987565\nSr Fe Sb O\n4 2 2 12\ndirect\n0.499988 0.503307 0.250164 Sr\n0.000043 0.003238 0.750167 Sr\n0.000044 0.996767 0.249846 Sr\n0.499988 0.496838 0.749848 Sr\n0.999712 0.499715 0.499917 Fe\n0.499978 0.999772 0.999985 Fe\n0.000052 0.499999 0.999926 Sb\n0.499904 0.999919 0.500027 Sb\n0.500057 0.946581 0.748283 O\n0.000004 0.446547 0.248241 O\n0.000003 0.553534 0.751737 O\n0.500054 0.053552 0.251771 O\n0.748449 0.752395 0.471582 O\n0.248448 0.252370 0.971622 O\n0.751596 0.252388 0.971626 O\n0.251595 0.752349 0.471572 O\n0.751626 0.747677 0.028436 O\n0.251626 0.247702 0.528408 O\n0.748413 0.247653 0.528401 O\n0.248419 0.747698 0.028439 O\n",
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