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{
"id": "mp-1215045",
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"structure_string": "Ca4 Al8 Si8 W16 O32\n1.0\n10.429877 0.000000 0.000000\n0.000000 10.302734 0.000000\n0.000000 0.511144 10.764057\nCa Al Si W O\n4 8 8 16 32\ndirect\n0.407628 0.665223 0.953667 Ca\n0.907628 0.334777 0.046333 Ca\n0.574049 0.331488 0.548064 Ca\n0.074049 0.668512 0.451936 Ca\n0.338322 0.418931 0.383859 Al\n0.838322 0.581069 0.616141 Al\n0.125280 0.086911 0.610312 Al\n0.625280 0.913089 0.389688 Al\n0.144443 0.419792 0.883236 Al\n0.644443 0.580208 0.116764 Al\n0.347544 0.085186 0.109546 Al\n0.847544 0.914814 0.890454 Al\n0.105513 0.103652 0.905744 Si\n0.605513 0.896348 0.094256 Si\n0.879234 0.601629 0.911794 Si\n0.379234 0.398371 0.088206 Si\n0.108267 0.404516 0.589116 Si\n0.608267 0.595484 0.410884 Si\n0.365663 0.102330 0.405995 Si\n0.865663 0.897670 0.594005 Si\n0.610667 0.049786 0.698079 W\n0.110667 0.950214 0.301921 W\n0.359501 0.949442 0.807258 W\n0.859501 0.050558 0.192742 W\n0.181461 0.825849 0.044684 W\n0.681461 0.174151 0.955316 W\n0.047344 0.241100 0.291412 W\n0.547344 0.758900 0.708588 W\n0.420765 0.244485 0.791462 W\n0.920765 0.755515 0.208538 W\n0.624076 0.452122 0.813873 W\n0.124076 0.547878 0.186127 W\n0.802257 0.172150 0.447717 W\n0.302257 0.827850 0.552283 W\n0.374260 0.541647 0.691743 W\n0.874260 0.458353 0.308257 W\n0.008617 0.511350 0.926159 O\n0.508617 0.488650 0.073841 O\n0.205822 0.051891 0.018167 O\n0.705822 0.948109 0.981833 O\n0.969023 0.027627 0.915437 O\n0.469023 0.972373 0.084563 O\n0.175910 0.445890 0.721692 O\n0.675910 0.554110 0.278308 O\n0.497924 0.020308 0.413002 O\n0.997924 0.979692 0.586998 O\n0.085528 0.250398 0.582424 O\n0.585528 0.749602 0.417576 O\n0.174322 0.068612 0.771747 O\n0.674322 0.931388 0.228253 O\n0.292740 0.078228 0.270507 O\n0.792740 0.921772 0.729493 O\n0.391401 0.258038 0.422042 O\n0.891401 0.741962 0.577958 O\n0.282924 0.452892 0.974018 O\n0.782924 0.547108 0.025982 O\n0.477911 0.505966 0.425142 O\n0.977911 0.494034 0.574858 O\n0.401306 0.244659 0.081558 O\n0.901306 0.755341 0.918442 O\n0.311308 0.438518 0.220797 O\n0.811308 0.561482 0.779203 O\n0.262688 0.047372 0.515021 O\n0.762688 0.952628 0.484979 O\n0.205394 0.462386 0.477447 O\n0.705394 0.537614 0.522553 O\n0.084808 0.260532 0.917317 O\n0.584808 0.739468 0.082683 O\n",
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"formula_full": "Ca4 Al8 Si8 W16 O32",
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"spacegroup": 4
},
{
"id": "mp-1234020",
"created_at": "2022-09-04T14:48:15.962882Z",
"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.182144 -0.147441 -1.906708\n0.107475 7.365849 0.904723\n-0.003136 1.002897 8.070655\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.191860 0.686683 0.364623 Sr\n0.848557 0.328594 0.701402 Sr\n0.729413 0.072471 0.452384 Mg\n0.950401 0.751565 0.816611 V\n0.115757 0.198501 0.239595 V\n0.414949 0.503967 0.803323 Si\n0.594236 0.465023 0.231065 Si\n0.607057 0.908477 0.174378 Si\n0.365821 0.071311 0.747888 Si\n0.648174 0.679088 0.262699 O\n0.362483 0.296275 0.751509 O\n0.506453 0.476379 0.018446 O\n0.512070 0.952806 0.956379 O\n0.618085 0.609442 0.709382 O\n0.856097 0.332866 0.348609 O\n0.421250 0.990407 0.261232 O\n0.060892 0.009928 0.682951 O\n0.978847 0.280136 0.003490 O\n0.033653 0.738043 0.044312 O\n0.894025 0.975842 0.287698 O\n0.527936 0.055265 0.620942 O\n0.131731 0.609698 0.700514 O\n0.380253 0.386864 0.324733 O\n",
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"elements": [
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],
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"formula_full": "Sr2 Mg1 V2 Si4 O14",
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"spacegroup": 1
},
{
"id": "mp-1247887",
"created_at": "2022-09-04T14:46:11.672712Z",
"structure_string": "Al10 Si2 O19\n1.0\n2.938959 0.000000 0.000000\n0.000000 7.555921 -0.023092\n0.000000 -0.146439 15.974214\nAl Si O\n10 2 19\ndirect\n0.000000 0.963657 0.995354 Al\n0.500000 0.239618 0.114037 Al\n0.500000 0.341515 0.415080 Al\n0.500000 0.644029 0.095364 Al\n0.500000 0.831722 0.830605 Al\n0.500000 0.644403 0.577691 Al\n0.500000 0.735343 0.396526 Al\n0.000000 0.488425 0.255983 Al\n0.000000 0.009138 0.510124 Al\n0.000000 0.494209 0.741770 Al\n0.500000 0.333700 0.936931 Si\n0.500000 0.129593 0.681465 Si\n0.000000 0.860750 0.413636 O\n0.000000 0.851021 0.890247 O\n0.500000 0.978903 0.748748 O\n0.500000 0.358782 0.205863 O\n0.500000 0.328347 0.725360 O\n0.500000 0.428685 0.031474 O\n0.500000 0.620245 0.301532 O\n0.500000 0.553064 0.473668 O\n0.500000 0.617686 0.784291 O\n0.500000 0.155821 0.481627 O\n0.500000 0.832830 0.032372 O\n0.500000 0.122010 0.951842 O\n0.500000 0.873428 0.557238 O\n0.000000 0.121584 0.091376 O\n0.000000 0.129536 0.627944 O\n0.000000 0.341990 0.354788 O\n0.000000 0.631589 0.152543 O\n0.000000 0.384638 0.890300 O\n0.000000 0.580143 0.633070 O\n",
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"elements": [
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],
"chemical_system": "Al-O-Si",
"density": 2.9490635834660752,
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"volume": 354.7221162333484,
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"formula_full": "Al10 Si2 O19",
"formula_reduced": "Al10Si2O19",
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"energy": -245.97729633,
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},
{
"id": "mp-21216",
"created_at": "2022-09-04T14:39:09.394344Z",
"structure_string": "Al8 Fe8 O24\n1.0\n5.044116 0.000000 0.000000\n0.000000 8.669206 0.000000\n0.000000 0.000000 9.376979\nAl Fe O\n8 8 24\ndirect\n0.818233 0.836777 0.303332 Al\n0.181767 0.163223 0.803332 Al\n0.681767 0.336777 0.803332 Al\n0.318233 0.663223 0.303332 Al\n0.168772 0.845380 0.002023 Al\n0.831228 0.154620 0.502023 Al\n0.331228 0.345380 0.502023 Al\n0.668772 0.654620 0.002023 Al\n0.667761 0.970867 0.801314 Fe\n0.332239 0.029133 0.301314 Fe\n0.832239 0.470867 0.301314 Fe\n0.167761 0.529133 0.801314 Fe\n0.184255 0.850664 0.581037 Fe\n0.815745 0.149336 0.081037 Fe\n0.315745 0.350664 0.081037 Fe\n0.684255 0.649336 0.581037 Fe\n0.500361 0.825513 0.943500 O\n0.499639 0.174487 0.443500 O\n0.999639 0.325513 0.443500 O\n0.000361 0.674487 0.943500 O\n0.836153 0.831010 0.671856 O\n0.163847 0.168990 0.171856 O\n0.663847 0.331010 0.171856 O\n0.336153 0.668990 0.671856 O\n0.146218 0.834047 0.194634 O\n0.853782 0.165953 0.694634 O\n0.353782 0.334047 0.694634 O\n0.646218 0.665953 0.194634 O\n0.665553 0.992374 0.201606 O\n0.334447 0.007626 0.701606 O\n0.834447 0.492374 0.701606 O\n0.165553 0.507626 0.201606 O\n0.480639 0.820381 0.415902 O\n0.519361 0.179619 0.915902 O\n0.019361 0.320381 0.915902 O\n0.980639 0.679619 0.415902 O\n0.496908 0.510211 0.429166 O\n0.003092 0.010211 0.929166 O\n0.503092 0.489789 0.929166 O\n0.996908 0.989789 0.429166 O\n",
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],
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"formula_full": "Al8 Fe8 O24",
"formula_reduced": "AlFeO3",
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{
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"created_at": "2022-09-04T14:40:51.929405Z",
"structure_string": "Li4 Mn6 P8 O28\n1.0\n7.999288 0.000000 0.000000\n0.000000 7.470532 0.000000\n0.000000 3.348741 9.250052\nLi Mn P O\n4 6 8 28\ndirect\n0.580150 0.708809 0.853372 Li\n0.919850 0.708809 0.353372 Li\n0.080150 0.291191 0.646628 Li\n0.419850 0.291191 0.146628 Li\n0.000000 0.000000 0.500000 Mn\n0.622008 0.801749 0.521035 Mn\n0.500000 0.000000 0.000000 Mn\n0.877992 0.801749 0.021035 Mn\n0.122008 0.198251 0.978965 Mn\n0.377992 0.198251 0.478965 Mn\n0.795383 0.116240 0.194704 P\n0.704617 0.116240 0.694704 P\n0.050414 0.398996 0.220572 P\n0.550414 0.601004 0.279428 P\n0.449586 0.398996 0.720572 P\n0.949586 0.601004 0.779428 P\n0.204617 0.883760 0.805296 P\n0.295383 0.883760 0.305296 P\n0.295978 0.011414 0.144091 O\n0.915767 0.034294 0.107923 O\n0.624510 0.155933 0.123757 O\n0.204022 0.011414 0.644091 O\n0.584233 0.034294 0.607923 O\n0.869357 0.317197 0.191981 O\n0.704022 0.988586 0.855909 O\n0.084233 0.965706 0.892077 O\n0.375490 0.844067 0.876243 O\n0.795978 0.988586 0.355909 O\n0.415767 0.965706 0.392077 O\n0.130643 0.682803 0.808019 O\n0.828730 0.622808 0.893562 O\n0.124510 0.844067 0.376243 O\n0.891463 0.720564 0.624803 O\n0.495288 0.604557 0.703647 O\n0.369357 0.682803 0.308019 O\n0.671270 0.622808 0.393562 O\n0.608537 0.720564 0.124803 O\n0.995288 0.395443 0.796353 O\n0.004712 0.604557 0.203647 O\n0.391463 0.279436 0.875197 O\n0.328730 0.377192 0.606438 O\n0.630643 0.317197 0.691981 O\n0.504712 0.395443 0.296353 O\n0.108537 0.279436 0.375197 O\n0.875490 0.155933 0.623757 O\n0.171270 0.377192 0.106438 O\n",
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],
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"formula_full": "Li4 Mn6 P8 O28",
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},
{
"id": "mp-1211611",
"created_at": "2022-09-04T14:40:31.767751Z",
"structure_string": "K4 Na4 Ti8 P8 O40\n1.0\n6.374662 0.000000 0.000000\n0.000000 10.705596 0.000000\n0.000000 0.000000 12.911104\nK Na Ti P O\n4 4 8 8 40\ndirect\n0.180755 0.580413 0.100721 K\n0.819245 0.080413 0.899279 K\n0.319245 0.580413 0.600721 K\n0.680755 0.080413 0.399279 K\n0.767333 0.299830 0.149377 Na\n0.232667 0.799830 0.850623 Na\n0.732667 0.299830 0.649377 Na\n0.267333 0.799830 0.350623 Na\n0.492925 0.013209 0.127981 Ti\n0.507075 0.513209 0.872019 Ti\n0.007075 0.013209 0.627981 Ti\n0.992925 0.513209 0.372019 Ti\n0.260177 0.266023 0.254314 Ti\n0.739823 0.766023 0.745686 Ti\n0.239823 0.266023 0.754314 Ti\n0.760177 0.766023 0.245686 Ti\n0.998683 0.024356 0.184096 P\n0.001317 0.524356 0.815904 P\n0.501317 0.024356 0.684096 P\n0.498683 0.524356 0.315904 P\n0.338890 0.275830 0.003882 P\n0.661110 0.775830 0.996118 P\n0.161110 0.275830 0.503882 P\n0.838890 0.775830 0.496118 P\n0.030129 0.397972 0.274909 O\n0.969871 0.897972 0.725091 O\n0.469871 0.397972 0.774909 O\n0.530129 0.897972 0.225091 O\n0.305316 0.553362 0.383796 O\n0.694684 0.053362 0.616204 O\n0.194684 0.553362 0.883796 O\n0.805316 0.053362 0.116204 O\n0.462135 0.154453 0.224166 O\n0.537865 0.654453 0.775834 O\n0.037865 0.154453 0.724166 O\n0.962135 0.654453 0.275834 O\n0.300648 0.254622 0.405789 O\n0.699352 0.754622 0.594211 O\n0.199352 0.254622 0.905789 O\n0.800648 0.754622 0.094211 O\n0.031952 0.399254 0.492941 O\n0.968048 0.899254 0.507059 O\n0.468048 0.399254 0.992941 O\n0.531952 0.899254 0.007059 O\n0.031692 0.140548 0.255130 O\n0.968308 0.640548 0.744870 O\n0.468308 0.140548 0.755130 O\n0.531692 0.640548 0.244870 O\n0.189719 0.292877 0.098760 O\n0.810281 0.792877 0.901240 O\n0.310281 0.292877 0.598760 O\n0.689719 0.792877 0.401240 O\n0.493315 0.167267 0.017345 O\n0.506685 0.667267 0.982655 O\n0.006685 0.167267 0.517345 O\n0.993315 0.667267 0.482655 O\n0.465048 0.410134 0.243910 O\n0.534952 0.910134 0.756090 O\n0.034952 0.410134 0.743910 O\n0.965048 0.910134 0.256090 O\n0.187175 0.000850 0.112221 O\n0.812825 0.500850 0.887779 O\n0.312825 0.000850 0.612221 O\n0.687175 0.500850 0.387779 O\n",
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"formula_full": "K4 Na4 Ti8 P8 O40",
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},
{
"id": "mp-1227068",
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"structure_string": "Ca1 La1 Fe1 O4\n1.0\n-1.953271 1.953271 6.142826\n1.953271 -1.953271 6.142826\n1.953271 1.953271 -6.142826\nCa La Fe O\n1 1 1 4\ndirect\n0.641262 0.641262 0.000000 Ca\n0.357324 0.357324 0.000000 La\n0.007493 0.007493 0.000000 Fe\n0.826166 0.826166 0.000000 O\n0.171942 0.171942 0.000000 O\n0.997907 0.497907 0.500000 O\n0.497907 0.997907 0.500000 O\n",
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"formula_full": "Ca1 La1 Fe1 O4",
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