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{
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{
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{
"id": "mp-733789",
"created_at": "2022-09-04T14:47:17.634830Z",
"structure_string": "Os10 C32 O32\n1.0\n9.448814 0.000000 0.000000\n-3.330942 10.495841 0.000000\n-0.892540 -3.035591 13.381121\nOs C O\n10 32 32\ndirect\n0.890788 0.330570 0.732914 Os\n0.109212 0.669430 0.267086 Os\n0.594216 0.268407 0.701926 Os\n0.405784 0.731593 0.298074 Os\n0.734954 0.077891 0.757843 Os\n0.265046 0.922109 0.242157 Os\n0.653932 0.247823 0.898325 Os\n0.346068 0.752177 0.101675 Os\n0.767913 0.526675 0.677074 Os\n0.232087 0.473325 0.322926 Os\n0.970549 0.281389 0.616384 C\n0.029451 0.718611 0.383616 C\n0.007033 0.252851 0.806215 C\n0.992967 0.747149 0.193785 C\n0.049813 0.495156 0.768455 C\n0.950187 0.504844 0.231545 C\n0.590877 0.189559 0.565534 C\n0.409123 0.810441 0.434466 C\n0.426953 0.130554 0.724945 C\n0.573047 0.869446 0.275055 C\n0.450012 0.354790 0.681584 C\n0.549988 0.645210 0.318416 C\n0.760039 0.988501 0.629235 C\n0.239961 0.011499 0.370765 C\n0.564908 0.944207 0.776716 C\n0.435092 0.055793 0.223284 C\n0.846799 0.000488 0.829858 C\n0.153201 0.999512 0.170142 C\n0.642936 0.404799 0.980458 C\n0.357064 0.595201 0.019542 C\n0.497314 0.152603 0.957190 C\n0.502686 0.847397 0.042810 C\n0.794100 0.217997 0.987551 C\n0.205900 0.782003 0.012449 C\n0.799937 0.448017 0.543541 C\n0.200063 0.551983 0.456459 C\n0.733607 0.588991 0.814812 C\n0.266393 0.411009 0.185188 C\n0.932414 0.683195 0.685463 C\n0.067586 0.316805 0.314537 C\n0.626718 0.600011 0.627625 C\n0.373282 0.399989 0.372375 C\n0.015181 0.243463 0.543516 O\n0.984819 0.756537 0.456484 O\n0.105127 0.232127 0.849125 O\n0.894873 0.767873 0.150875 O\n0.157853 0.585520 0.789625 O\n0.842147 0.414480 0.210375 O\n0.590692 0.135959 0.483778 O\n0.409308 0.864041 0.516222 O\n0.314247 0.051060 0.727692 O\n0.685753 0.948940 0.272308 O\n0.349367 0.391280 0.663408 O\n0.650633 0.608720 0.336592 O\n0.771777 0.925629 0.553765 O\n0.228223 0.074371 0.446235 O\n0.463927 0.859559 0.789345 O\n0.536073 0.140441 0.210655 O\n0.915419 0.952352 0.874108 O\n0.084581 0.047648 0.125892 O\n0.650151 0.494304 0.043783 O\n0.349849 0.505696 0.956217 O\n0.393393 0.089828 0.986891 O\n0.606607 0.910172 0.013109 O\n0.883899 0.207197 0.044385 O\n0.116101 0.792803 0.955615 O\n0.822658 0.408900 0.463780 O\n0.177342 0.591100 0.536220 O\n0.710406 0.637549 0.891566 O\n0.289594 0.362451 0.108434 O\n0.029663 0.779194 0.691904 O\n0.970337 0.220806 0.308096 O\n0.541226 0.645322 0.597791 O\n0.458774 0.354678 0.402209 O\n",
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{
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"structure_string": "Ca22 V4 N20\n1.0\n15.203076 0.000000 0.000000\n0.000000 15.203076 0.000000\n0.000000 0.000000 3.590680\nCa V N\n22 4 20\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.972175 0.802847 0.500000 Ca\n0.027825 0.197153 0.500000 Ca\n0.527825 0.302847 0.000000 Ca\n0.472175 0.697153 0.000000 Ca\n0.802847 0.972175 0.500000 Ca\n0.197153 0.027825 0.500000 Ca\n0.302847 0.527825 0.000000 Ca\n0.697153 0.472175 0.000000 Ca\n0.656055 0.656055 0.500000 Ca\n0.343945 0.343945 0.500000 Ca\n0.843945 0.156055 0.000000 Ca\n0.156055 0.843945 0.000000 Ca\n0.369985 0.906968 0.500000 Ca\n0.630015 0.093032 0.500000 Ca\n0.130015 0.406968 0.000000 Ca\n0.869985 0.593032 0.000000 Ca\n0.906968 0.369985 0.500000 Ca\n0.093032 0.630015 0.500000 Ca\n0.406968 0.130015 0.000000 Ca\n0.593032 0.869985 0.000000 Ca\n0.303064 0.696936 0.500000 V\n0.696936 0.303064 0.500000 V\n0.196936 0.196936 0.000000 V\n0.803064 0.803064 0.000000 V\n0.080834 0.919166 0.500000 N\n0.919166 0.080834 0.500000 N\n0.419166 0.419166 0.000000 N\n0.580834 0.580834 0.000000 N\n0.498001 0.187361 0.500000 N\n0.501999 0.812639 0.500000 N\n0.001999 0.687361 0.000000 N\n0.998001 0.312639 0.000000 N\n0.187361 0.498001 0.500000 N\n0.812639 0.501999 0.500000 N\n0.687361 0.001999 0.000000 N\n0.312639 0.998001 0.000000 N\n0.221140 0.778860 0.500000 N\n0.778860 0.221140 0.500000 N\n0.278860 0.278860 0.000000 N\n0.721140 0.721140 0.000000 N\n0.386091 0.613909 0.500000 N\n0.613909 0.386091 0.500000 N\n0.113909 0.113909 0.000000 N\n0.886091 0.886091 0.000000 N\n",
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{
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{
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{
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{
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"structure_string": "Mo1 W3 Se4 S4\n1.0\n1.627020 -2.818081 0.000000\n1.627020 2.818081 0.000000\n0.000000 0.000000 36.918776\nMo W Se S\n1 3 4 4\ndirect\n0.000000 0.000000 0.093918 Mo\n0.000000 0.000000 0.469658 W\n0.333333 0.666667 0.281792 W\n0.333333 0.666667 0.657544 W\n0.000000 0.000000 0.328075 Se\n0.000000 0.000000 0.703862 Se\n0.000000 0.000000 0.235493 Se\n0.000000 0.000000 0.611241 Se\n0.333333 0.666667 0.052035 S\n0.333333 0.666667 0.427706 S\n0.333333 0.666667 0.135805 S\n0.333333 0.666667 0.511619 S\n",
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{
"id": "mp-561861",
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"structure_string": "K2 Mg4 V6 Cu4 O24\n1.0\n6.374531 6.126967 0.000000\n-6.374531 6.126967 0.000000\n0.000000 2.737612 6.576649\nK Mg V Cu O\n2 4 6 4 24\ndirect\n0.993199 0.006801 0.250000 K\n0.006801 0.993199 0.750000 K\n0.626985 0.947374 0.621944 Mg\n0.052626 0.373015 0.878056 Mg\n0.373015 0.052626 0.378056 Mg\n0.947374 0.626985 0.121944 Mg\n0.356040 0.114127 0.881304 V\n0.283635 0.716365 0.750000 V\n0.114127 0.356040 0.381304 V\n0.643960 0.885873 0.118696 V\n0.885873 0.643960 0.618696 V\n0.716365 0.283635 0.250000 V\n0.734166 0.265834 0.750000 Cu\n0.265834 0.734166 0.250000 Cu\n0.506812 0.493188 0.250000 Cu\n0.493188 0.506812 0.750000 Cu\n0.499879 0.718721 0.176479 O\n0.281279 0.500121 0.323521 O\n0.500121 0.281279 0.823521 O\n0.718721 0.499879 0.676479 O\n0.168857 0.753880 0.966652 O\n0.246120 0.831143 0.533348 O\n0.831143 0.246120 0.033348 O\n0.753880 0.168857 0.466652 O\n0.970020 0.594834 0.819425 O\n0.405166 0.029980 0.680575 O\n0.029980 0.405166 0.180575 O\n0.594834 0.970020 0.319425 O\n0.019834 0.668865 0.374503 O\n0.331135 0.980166 0.125497 O\n0.980166 0.331135 0.625497 O\n0.668865 0.019834 0.874503 O\n0.822696 0.818092 0.110991 O\n0.181908 0.177304 0.389009 O\n0.177304 0.181908 0.889009 O\n0.818092 0.822696 0.610991 O\n0.489575 0.729210 0.732195 O\n0.270790 0.510425 0.767805 O\n0.510425 0.270790 0.267805 O\n0.729210 0.489575 0.232195 O\n",
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},
{
"id": "mp-753558",
"created_at": "2022-09-04T14:47:17.032210Z",
"structure_string": "Li20 Mn4 O12 F8\n1.0\n-4.766881 -1.974067 0.003796\n4.768478 -5.926112 -0.007856\n1.016925 -1.969853 11.385658\nLi Mn O F\n20 4 12 8\ndirect\n0.876354 0.128029 0.748071 Li\n0.126355 0.878028 0.248070 Li\n0.376354 0.628029 0.748071 Li\n0.626354 0.378030 0.248072 Li\n0.459369 0.868498 0.936687 Li\n0.709366 0.618495 0.436686 Li\n0.959366 0.368495 0.936686 Li\n0.209369 0.118498 0.436687 Li\n0.290944 0.384404 0.559450 Li\n0.540944 0.134403 0.059451 Li\n0.790947 0.884406 0.559451 Li\n0.040947 0.634406 0.059452 Li\n0.274847 0.025737 0.653568 Li\n0.524834 0.775741 0.153569 Li\n0.774851 0.525737 0.653571 Li\n0.024841 0.275741 0.153568 Li\n0.475864 0.227477 0.842863 Li\n0.725864 0.977476 0.342861 Li\n0.975859 0.727478 0.842860 Li\n0.225874 0.477475 0.342861 Li\n0.250394 0.751330 0.498084 Mn\n0.500424 0.501347 0.998074 Mn\n0.000412 0.001342 0.998088 Mn\n0.750409 0.251333 0.498076 Mn\n0.250593 0.251426 0.997736 O\n0.500617 0.001452 0.497737 O\n0.750616 0.751452 0.997737 O\n0.000595 0.501426 0.497737 O\n0.747685 0.114848 0.909625 O\n0.997679 0.864847 0.409627 O\n0.247685 0.614850 0.909622 O\n0.497679 0.364850 0.409628 O\n0.002910 0.138062 0.586683 O\n0.252915 0.888060 0.086681 O\n0.502911 0.638060 0.586686 O\n0.752916 0.388062 0.086681 O\n0.570309 0.253201 0.675143 F\n0.820294 0.003189 0.175142 F\n0.070294 0.753194 0.675153 F\n0.320294 0.503202 0.175153 F\n0.181840 0.999986 0.821125 F\n0.431855 0.749985 0.321115 F\n0.681854 0.499993 0.821115 F\n0.931855 0.249998 0.321127 F\n",
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"volume": 428.88757466332754,
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"formula_full": "Li20 Mn4 O12 F8",
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},
{
"id": "mp-559502",
"created_at": "2022-09-04T14:47:17.037742Z",
"structure_string": "Ba6 Na2 Nd6 Si12 O40\n1.0\n2.826790 -12.226210 0.000000\n2.826790 12.226210 0.000000\n0.000000 0.000000 15.006774\nBa Na Nd Si O\n6 2 6 12 40\ndirect\n0.687845 0.174403 0.386721 Ba\n0.174403 0.687845 0.613279 Ba\n0.174403 0.687845 0.886721 Ba\n0.847564 0.013942 0.250000 Ba\n0.013942 0.847564 0.750000 Ba\n0.687845 0.174403 0.113279 Ba\n0.467750 0.243861 0.250000 Na\n0.243861 0.467750 0.750000 Na\n0.612977 0.391120 0.531201 Nd\n0.391120 0.612977 0.031201 Nd\n0.612977 0.391120 0.968799 Nd\n0.391120 0.612977 0.468799 Nd\n0.008570 0.008570 0.500000 Nd\n0.008570 0.008570 0.000000 Nd\n0.810327 0.114816 0.942212 Si\n0.114816 0.810327 0.442212 Si\n0.441439 0.442930 0.358803 Si\n0.092973 0.714400 0.250000 Si\n0.810327 0.114816 0.557788 Si\n0.714400 0.092973 0.750000 Si\n0.442930 0.441439 0.641197 Si\n0.441439 0.442930 0.141197 Si\n0.114816 0.810327 0.057788 Si\n0.281198 0.644259 0.250000 Si\n0.442930 0.441439 0.858803 Si\n0.644259 0.281198 0.750000 Si\n0.790638 0.971324 0.531677 O\n0.669351 0.723088 0.110332 O\n0.188516 0.874420 0.334190 O\n0.541916 0.921516 0.967163 O\n0.810773 0.430253 0.250000 O\n0.971324 0.790638 0.468323 O\n0.193281 0.290349 0.120236 O\n0.783922 0.284993 0.750000 O\n0.409525 0.303667 0.085648 O\n0.998940 0.353330 0.250000 O\n0.290349 0.193281 0.620236 O\n0.921516 0.541916 0.032837 O\n0.445128 0.758874 0.337247 O\n0.369715 0.021374 0.004119 O\n0.874420 0.188516 0.834190 O\n0.303667 0.409525 0.585648 O\n0.303667 0.409525 0.914352 O\n0.723088 0.669351 0.889668 O\n0.353330 0.998940 0.750000 O\n0.430253 0.810773 0.750000 O\n0.193281 0.290349 0.379764 O\n0.188516 0.874420 0.165810 O\n0.723088 0.669351 0.610332 O\n0.758874 0.445128 0.837247 O\n0.790638 0.971324 0.968323 O\n0.462156 0.431871 0.250000 O\n0.541916 0.921516 0.532837 O\n0.284993 0.783922 0.250000 O\n0.369715 0.021374 0.495881 O\n0.445128 0.758874 0.162753 O\n0.921516 0.541916 0.467163 O\n0.021375 0.369715 0.995881 O\n0.669351 0.723088 0.389668 O\n0.409525 0.303667 0.414352 O\n0.874420 0.188516 0.665810 O\n0.290349 0.193281 0.879764 O\n0.971324 0.790638 0.031677 O\n0.758874 0.445128 0.662753 O\n0.431871 0.462156 0.750000 O\n0.021375 0.369715 0.504119 O\n",
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]
}