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{
"id": "mp-1205190",
"created_at": "2022-09-04T14:44:50.060730Z",
"structure_string": "Cs4 Mo4 As4 H8 O28\n1.0\n7.467571 0.001583 2.722459\n1.608122 9.017150 4.536245\n0.063095 0.062356 11.327900\nCs Mo As H O\n4 4 4 8 28\ndirect\n0.678520 0.694736 0.336155 Cs\n0.321480 0.305264 0.663845 Cs\n0.806922 0.314463 0.043440 Cs\n0.193078 0.685537 0.956560 Cs\n0.125413 0.762464 0.367607 Mo\n0.874587 0.237536 0.632393 Mo\n0.869676 0.690073 0.693611 Mo\n0.130324 0.309927 0.306389 Mo\n0.202096 0.957231 0.555709 As\n0.797904 0.042769 0.444291 As\n0.693951 0.921666 0.866434 As\n0.306049 0.078334 0.133566 As\n0.482931 0.870204 0.614673 H\n0.517069 0.129796 0.385327 H\n0.682240 0.998923 0.027191 H\n0.317760 0.001077 0.972809 H\n0.497934 0.538310 0.198115 H\n0.502066 0.461690 0.801885 H\n0.543591 0.680374 0.067675 H\n0.456409 0.319626 0.932325 H\n0.090066 0.846320 0.540895 O\n0.909934 0.153680 0.459105 O\n0.299912 0.087896 0.403643 O\n0.700088 0.912104 0.596357 O\n0.078061 0.030770 0.675714 O\n0.921939 0.969230 0.324286 O\n0.383428 0.824544 0.620819 O\n0.616572 0.175456 0.379181 O\n0.689257 0.098533 0.739511 O\n0.310743 0.901467 0.260489 O\n0.857820 0.786563 0.820147 O\n0.142180 0.213437 0.179853 O\n0.483024 0.877765 0.929640 O\n0.516976 0.122235 0.070360 O\n0.775472 0.922283 0.992303 O\n0.224528 0.077717 0.007697 O\n0.038744 0.548943 0.761040 O\n0.961256 0.451057 0.238960 O\n0.674169 0.610565 0.776944 O\n0.325831 0.389435 0.223056 O\n0.091667 0.733091 0.238548 O\n0.908333 0.266909 0.761452 O\n0.298972 0.617555 0.425100 O\n0.701028 0.382445 0.574900 O\n0.924047 0.679681 0.517611 O\n0.075953 0.320319 0.482389 O\n0.599557 0.588069 0.131152 O\n0.400443 0.411931 0.868848 O\n",
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{
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"structure_string": "Tm6 Ga2\n1.0\n3.338105 -5.781767 0.000000\n3.338105 5.781767 0.000000\n0.000000 0.000000 5.223806\nTm Ga\n6 2\ndirect\n0.173522 0.347044 0.250000 Tm\n0.652956 0.826478 0.250000 Tm\n0.173522 0.826478 0.250000 Tm\n0.826478 0.652956 0.750000 Tm\n0.347044 0.173522 0.750000 Tm\n0.826478 0.173522 0.750000 Tm\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n",
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"formula_full": "Tm6 Ga2",
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"spacegroup": 194
},
{
"id": "mp-1036221",
"created_at": "2022-09-04T14:44:50.077768Z",
"structure_string": "Ca1 Mg14 Cd1 O16\n1.0\n4.363752 0.000000 0.000000\n0.000000 8.661380 0.000000\n0.000000 0.000000 8.706994\nCa Mg Cd O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.251108 Mg\n0.500000 0.000000 0.748892 Mg\n0.500000 0.500000 0.250334 Mg\n0.500000 0.500000 0.749666 Mg\n0.500000 0.255870 0.000000 Mg\n0.500000 0.255237 0.500000 Mg\n0.500000 0.744130 0.000000 Mg\n0.500000 0.744763 0.500000 Mg\n0.000000 0.255784 0.251186 Mg\n0.000000 0.255784 0.748814 Mg\n0.000000 0.744216 0.251186 Mg\n0.000000 0.744216 0.748814 Mg\n0.000000 0.000000 0.500000 Cd\n0.000000 0.264592 0.000000 O\n0.000000 0.267700 0.500000 O\n0.000000 0.735408 0.000000 O\n0.000000 0.732300 0.500000 O\n0.500000 0.249628 0.250456 O\n0.500000 0.249628 0.749544 O\n0.500000 0.750372 0.250456 O\n0.500000 0.750372 0.749544 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.249019 O\n0.000000 0.000000 0.750981 O\n0.000000 0.500000 0.249634 O\n0.000000 0.500000 0.750366 O\n",
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"volume": 329.0905404139105,
"volume_molar": 6.193217366115743,
"formula_full": "Ca1 Mg14 Cd1 O16",
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"formula_anonymous": "ABC14D16",
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{
"id": "mp-696780",
"created_at": "2022-09-04T14:44:50.080783Z",
"structure_string": "Fe2 P4 H16 O20\n1.0\n9.748221 0.000000 0.000000\n0.000000 6.066428 0.000000\n0.000000 5.049961 7.146992\nFe P H O\n2 4 16 20\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.809058 0.524148 0.663798 P\n0.690942 0.524148 0.163798 P\n0.190942 0.475852 0.336202 P\n0.309058 0.475852 0.836202 P\n0.563307 0.802620 0.194292 H\n0.936693 0.802620 0.694292 H\n0.436693 0.197380 0.805708 H\n0.063307 0.197380 0.305708 H\n0.374564 0.260078 0.537978 H\n0.125436 0.260078 0.037978 H\n0.625436 0.739922 0.462022 H\n0.874564 0.739922 0.962022 H\n0.225443 0.632873 0.513424 H\n0.274557 0.632873 0.013424 H\n0.774557 0.367127 0.486576 H\n0.725443 0.367127 0.986576 H\n0.572785 0.086927 0.206070 H\n0.927215 0.086927 0.706070 H\n0.427215 0.913073 0.793930 H\n0.072785 0.913073 0.293930 H\n0.823558 0.307681 0.873212 O\n0.676442 0.307681 0.373212 O\n0.176442 0.692319 0.126788 O\n0.323558 0.692319 0.626788 O\n0.656568 0.622496 0.611864 O\n0.843432 0.622496 0.111864 O\n0.343432 0.377504 0.388136 O\n0.156568 0.377504 0.888136 O\n0.040384 0.090305 0.185284 O\n0.459616 0.090305 0.685284 O\n0.959616 0.909695 0.814716 O\n0.540384 0.909695 0.314716 O\n0.649157 0.415821 0.044414 O\n0.850843 0.415821 0.544414 O\n0.350843 0.584179 0.955586 O\n0.149157 0.584179 0.455586 O\n0.906370 0.767919 0.596510 O\n0.593630 0.767919 0.096510 O\n0.093630 0.232081 0.403490 O\n0.406370 0.232081 0.903490 O\n",
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"elements": [
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],
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"formula_full": "Fe2 P4 H16 O20",
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},
{
"id": "mp-677013",
"created_at": "2022-09-04T14:44:50.084961Z",
"structure_string": "Na6 Pb4 S6 Cl2 O24\n1.0\n7.179440 0.000000 0.000000\n0.000000 9.962775 0.000000\n0.000000 4.981186 8.691270\nNa Pb S Cl O\n6 4 6 2 24\ndirect\n0.250000 0.736744 0.002864 Na\n0.002607 0.660477 0.675236 Na\n0.497393 0.660477 0.675236 Na\n0.502607 0.339523 0.324764 Na\n0.997393 0.339523 0.324764 Na\n0.750000 0.263256 0.997136 Na\n0.250000 0.010626 0.240928 Pb\n0.750000 0.742485 0.253287 Pb\n0.250000 0.257515 0.746713 Pb\n0.750000 0.989374 0.759072 Pb\n0.750000 0.966877 0.412602 S\n0.750000 0.623091 0.964578 S\n0.250000 0.586630 0.381806 S\n0.750000 0.413370 0.618194 S\n0.250000 0.376909 0.035422 S\n0.250000 0.033123 0.587398 S\n0.000000 0.000000 0.000000 Cl\n0.500000 0.000000 0.000000 Cl\n0.250000 0.865536 0.645069 O\n0.582207 0.728342 0.915403 O\n0.917793 0.728342 0.915403 O\n0.750000 0.876565 0.585741 O\n0.583103 0.916764 0.357775 O\n0.916897 0.916764 0.357775 O\n0.750000 0.533743 0.882429 O\n0.250000 0.480838 0.865503 O\n0.250000 0.641225 0.495072 O\n0.750000 0.588322 0.536002 O\n0.082615 0.641637 0.280322 O\n0.417385 0.641637 0.280322 O\n0.582615 0.358363 0.719678 O\n0.917385 0.358363 0.719678 O\n0.250000 0.411678 0.463998 O\n0.750000 0.358775 0.504928 O\n0.750000 0.519162 0.134497 O\n0.250000 0.466257 0.117571 O\n0.083103 0.083236 0.642225 O\n0.416897 0.083236 0.642225 O\n0.250000 0.123435 0.414259 O\n0.082207 0.271658 0.084597 O\n0.417793 0.271658 0.084597 O\n0.750000 0.134464 0.354931 O\n",
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{
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"created_at": "2022-09-04T14:44:50.830766Z",
"structure_string": "La24 Si16 B8 O80\n1.0\n7.306417 0.000000 0.000000\n0.000000 10.014011 0.000000\n0.000000 0.000000 23.530538\nLa Si B O\n24 16 8 80\ndirect\n0.639805 0.990717 0.428123 La\n0.860195 0.990717 0.928123 La\n0.173659 0.865975 0.337178 La\n0.326341 0.865975 0.837178 La\n0.593262 0.766901 0.682711 La\n0.906738 0.766901 0.182711 La\n0.093262 0.733099 0.682711 La\n0.406738 0.733099 0.182711 La\n0.673659 0.634025 0.337178 La\n0.826341 0.634025 0.837178 La\n0.360195 0.509283 0.928123 La\n0.139805 0.509283 0.428123 La\n0.639805 0.490717 0.071877 La\n0.860195 0.490717 0.571877 La\n0.173659 0.365975 0.162822 La\n0.326341 0.365975 0.662822 La\n0.593262 0.266901 0.817289 La\n0.906738 0.266901 0.317289 La\n0.093262 0.233099 0.817289 La\n0.406738 0.233099 0.317289 La\n0.673659 0.134025 0.162822 La\n0.826341 0.134025 0.662822 La\n0.360195 0.009283 0.571877 La\n0.139805 0.009283 0.071877 La\n0.683423 0.938716 0.279330 Si\n0.816577 0.938716 0.779330 Si\n0.644841 0.875109 0.078497 Si\n0.855159 0.875109 0.578497 Si\n0.144841 0.624891 0.078497 Si\n0.355159 0.624891 0.578497 Si\n0.183423 0.561284 0.279330 Si\n0.316577 0.561284 0.779330 Si\n0.683423 0.438716 0.220670 Si\n0.816577 0.438716 0.720670 Si\n0.855159 0.375109 0.921503 Si\n0.644841 0.375109 0.421503 Si\n0.144841 0.124891 0.421503 Si\n0.355159 0.124891 0.921503 Si\n0.183423 0.061284 0.220670 Si\n0.316577 0.061284 0.720670 Si\n0.154772 0.755934 0.972344 B\n0.345228 0.755934 0.472344 B\n0.845228 0.744066 0.472344 B\n0.654772 0.744066 0.972344 B\n0.345228 0.255934 0.027656 B\n0.154772 0.255934 0.527656 B\n0.845228 0.244066 0.027656 B\n0.654772 0.244066 0.527656 B\n0.466314 0.959782 0.099265 O\n0.033686 0.959782 0.599265 O\n0.824757 0.950502 0.105418 O\n0.675243 0.950502 0.605418 O\n0.631358 0.902218 0.212507 O\n0.868642 0.902218 0.712507 O\n0.202643 0.897031 0.221257 O\n0.297357 0.897031 0.721257 O\n0.534340 0.892077 0.327252 O\n0.965660 0.892077 0.827252 O\n0.422412 0.870635 0.491295 O\n0.077588 0.870635 0.991295 O\n0.663524 0.859382 0.008244 O\n0.836476 0.859382 0.508244 O\n0.868378 0.847915 0.290077 O\n0.631622 0.847915 0.790077 O\n0.147371 0.773184 0.109654 O\n0.352629 0.773184 0.609654 O\n0.771291 0.761657 0.419226 O\n0.728709 0.761657 0.919226 O\n0.271291 0.738343 0.419226 O\n0.228709 0.738343 0.919226 O\n0.647371 0.726816 0.109654 O\n0.852629 0.726816 0.609654 O\n0.368378 0.652085 0.290077 O\n0.131622 0.652085 0.790077 O\n0.163524 0.640618 0.008244 O\n0.336476 0.640618 0.508244 O\n0.922412 0.629365 0.491295 O\n0.577588 0.629365 0.991295 O\n0.034340 0.607923 0.327252 O\n0.465660 0.607923 0.827252 O\n0.702643 0.602969 0.221257 O\n0.797357 0.602969 0.721257 O\n0.131358 0.597782 0.212507 O\n0.368642 0.597782 0.712507 O\n0.324757 0.549498 0.105418 O\n0.175243 0.549498 0.605418 O\n0.966314 0.540218 0.099265 O\n0.533686 0.540218 0.599265 O\n0.466314 0.459782 0.400735 O\n0.033686 0.459782 0.900735 O\n0.824757 0.450502 0.394582 O\n0.675243 0.450502 0.894582 O\n0.631358 0.402218 0.287493 O\n0.868642 0.402218 0.787493 O\n0.202643 0.397031 0.278743 O\n0.297357 0.397031 0.778743 O\n0.534340 0.392077 0.172748 O\n0.965660 0.392077 0.672748 O\n0.422412 0.370635 0.008705 O\n0.077588 0.370635 0.508705 O\n0.663524 0.359382 0.491756 O\n0.836476 0.359382 0.991756 O\n0.868378 0.347915 0.209923 O\n0.631622 0.347915 0.709923 O\n0.352629 0.273184 0.890346 O\n0.147371 0.273184 0.390346 O\n0.771291 0.261657 0.080774 O\n0.728709 0.261657 0.580774 O\n0.271291 0.238343 0.080774 O\n0.228709 0.238343 0.580774 O\n0.852629 0.226816 0.890346 O\n0.647371 0.226816 0.390346 O\n0.368378 0.152085 0.209923 O\n0.131622 0.152085 0.709923 O\n0.163524 0.140618 0.491756 O\n0.336476 0.140618 0.991756 O\n0.922412 0.129365 0.008705 O\n0.577588 0.129365 0.508705 O\n0.034340 0.107923 0.172748 O\n0.465660 0.107923 0.672748 O\n0.702643 0.102969 0.278743 O\n0.797357 0.102969 0.778743 O\n0.131358 0.097782 0.287493 O\n0.368642 0.097782 0.787493 O\n0.324757 0.049498 0.394582 O\n0.175243 0.049498 0.894582 O\n0.966314 0.040218 0.400735 O\n0.533686 0.040218 0.900735 O\n",
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{
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{
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{
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"structure_string": "Li68 O34\n1.0\n10.116656 -0.104894 -0.138975\n-0.119323 9.699508 -0.544451\n-0.133329 -0.555839 10.042772\nLi O\n68 34\ndirect\n0.903765 0.720309 0.885443 Li\n0.168595 0.397484 0.013277 Li\n0.802899 0.319026 0.436088 Li\n0.176765 0.520089 0.809571 Li\n0.762024 0.708034 0.087556 Li\n0.978094 0.926497 0.960406 Li\n0.115875 0.250797 0.630955 Li\n0.452683 0.829247 0.900161 Li\n0.229141 0.638387 0.626540 Li\n0.847405 0.479264 0.190842 Li\n0.679269 0.308499 0.924486 Li\n0.811359 0.075087 0.916392 Li\n0.460909 0.555923 0.913675 Li\n0.252603 0.139099 0.407859 Li\n0.248765 0.383368 0.519969 Li\n0.798877 0.561496 0.422164 Li\n0.561029 0.671572 0.348325 Li\n0.446045 0.049073 0.005669 Li\n0.318607 0.568400 0.171950 Li\n0.765226 0.079864 0.438132 Li\n0.216759 0.024098 0.990683 Li\n0.234812 0.711533 0.964898 Li\n0.408708 0.372030 0.683484 Li\n0.615167 0.514095 0.156219 Li\n0.206176 0.999167 0.584569 Li\n0.420534 0.989247 0.676158 Li\n0.674793 0.561968 0.888761 Li\n0.243526 0.152445 0.803061 Li\n0.898592 0.748854 0.273089 Li\n0.550059 0.060331 0.290953 Li\n0.473986 0.777772 0.122057 Li\n0.564696 0.910313 0.485294 Li\n0.082838 0.468553 0.256187 Li\n0.668960 0.860453 0.904929 Li\n0.035767 0.624058 0.040298 Li\n0.990752 0.599500 0.698310 Li\n0.102742 0.779919 0.459101 Li\n0.954790 0.091105 0.721322 Li\n0.047884 0.171164 0.932054 Li\n0.909721 0.431346 0.892232 Li\n0.773397 0.677161 0.662011 Li\n0.666700 0.927447 0.701114 Li\n0.690377 0.417113 0.713839 Li\n0.776274 0.172651 0.659248 Li\n0.549056 0.164541 0.759062 Li\n0.594769 0.396426 0.357591 Li\n0.881196 0.289812 0.032815 Li\n0.805136 0.224682 0.212323 Li\n0.202528 0.853993 0.781431 Li\n0.355181 0.966558 0.205925 Li\n0.984321 0.843050 0.717495 Li\n0.993146 0.023041 0.426072 Li\n0.325365 0.275370 0.202615 Li\n0.443299 0.723154 0.612172 Li\n0.683684 0.839503 0.280839 Li\n0.315908 0.825452 0.403673 Li\n0.805375 0.815044 0.490063 Li\n0.904809 0.965006 0.181812 Li\n0.087847 0.216345 0.172892 Li\n0.029075 0.299383 0.423221 Li\n0.027318 0.543413 0.474359 Li\n0.332552 0.535725 0.389231 Li\n0.592837 0.233639 0.504285 Li\n0.383204 0.342783 0.954883 Li\n0.918997 0.369280 0.654965 Li\n0.581531 0.248875 0.173307 Li\n0.132737 0.816098 0.229242 Li\n0.560350 0.553410 0.561250 Li\n0.938297 0.112045 0.078403 O\n0.624679 0.749034 0.562031 O\n0.922319 0.424087 0.351255 O\n0.296785 0.189149 0.627584 O\n0.735720 0.647641 0.258670 O\n0.187554 0.649673 0.316174 O\n0.540542 0.379555 0.829062 O\n0.624123 0.076946 0.592898 O\n0.293473 0.528312 0.974574 O\n0.095398 0.445699 0.630363 O\n0.715435 0.351894 0.098774 O\n0.437069 0.131688 0.176224 O\n0.673978 0.202676 0.335675 O\n0.827476 0.892455 0.818212 O\n0.323300 0.873177 0.028825 O\n0.839950 0.927100 0.349872 O\n0.467344 0.499411 0.264835 O\n0.232161 0.221188 0.989198 O\n0.825698 0.551455 0.790715 O\n0.298785 0.835807 0.617059 O\n0.847733 0.240880 0.830224 O\n0.102317 0.017086 0.799436 O\n0.190015 0.300979 0.332754 O\n0.682772 0.420203 0.534065 O\n0.495447 0.864164 0.307206 O\n0.378872 0.530123 0.581978 O\n0.935405 0.180930 0.550364 O\n0.002547 0.441072 0.061521 O\n0.166712 0.956169 0.385485 O\n0.945330 0.785877 0.090927 O\n0.589452 0.707476 0.980232 O\n0.945510 0.710896 0.551275 O\n0.097561 0.702848 0.832067 O\n0.532485 0.990538 0.843386 O\n",
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}