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{
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"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.891227 0.000000 0.000000\n0.000000 7.757700 0.000000\n0.000000 3.846023 8.966271\nLi V P H O\n2 4 8 4 32\ndirect\n0.130774 0.401088 0.726146 Li\n0.630774 0.598912 0.273854 Li\n0.504937 0.245271 0.752738 V\n0.993113 0.762591 0.748768 V\n0.493113 0.237409 0.251232 V\n0.004937 0.754729 0.247262 V\n0.154913 0.017366 0.930897 P\n0.349628 0.516290 0.928332 P\n0.641050 0.977232 0.570104 P\n0.141050 0.022768 0.429896 P\n0.843908 0.487874 0.568754 P\n0.343908 0.512126 0.431246 P\n0.654913 0.982634 0.069103 P\n0.849628 0.483710 0.071668 P\n0.488472 0.740588 0.987595 H\n0.493248 0.735510 0.489188 H\n0.993248 0.264490 0.510812 H\n0.988472 0.259412 0.012405 H\n0.056845 0.195801 0.904656 O\n0.671907 0.114128 0.903586 O\n0.329763 0.063056 0.857987 O\n0.055837 0.898190 0.854378 O\n0.444532 0.698547 0.903655 O\n0.837025 0.611211 0.901227 O\n0.172243 0.565195 0.853409 O\n0.442988 0.400715 0.854471 O\n0.558172 0.094825 0.647271 O\n0.825923 0.925466 0.639572 O\n0.159464 0.888545 0.598856 O\n0.548439 0.799945 0.591094 O\n0.947281 0.596704 0.645834 O\n0.669748 0.433174 0.639261 O\n0.048439 0.200055 0.408906 O\n0.659464 0.111455 0.401144 O\n0.324665 0.389347 0.599518 O\n0.952391 0.309959 0.597569 O\n0.325923 0.074534 0.360428 O\n0.058172 0.905175 0.352729 O\n0.452391 0.690041 0.402431 O\n0.824665 0.610653 0.400482 O\n0.169748 0.566826 0.360739 O\n0.447281 0.403296 0.354166 O\n0.555837 0.101810 0.145622 O\n0.829763 0.936944 0.142013 O\n0.171907 0.885872 0.096414 O\n0.556845 0.804199 0.095344 O\n0.942988 0.599285 0.145529 O\n0.672243 0.434805 0.146591 O\n0.337025 0.388789 0.098773 O\n0.944532 0.301453 0.096345 O\n",
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{
"id": "mp-1196378",
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"structure_string": "V2 H24 S2 O22\n1.0\n6.225538 0.000000 0.000000\n-0.782605 7.520577 0.000000\n-2.019147 -0.487686 10.038561\nV H S O\n2 24 2 22\ndirect\n0.929729 0.731421 0.718020 V\n0.070271 0.268579 0.281980 V\n0.011584 0.047490 0.849755 H\n0.988416 0.952510 0.150245 H\n0.741350 0.005638 0.808790 H\n0.258650 0.994362 0.191210 H\n0.294420 0.744320 0.912638 H\n0.705580 0.255680 0.087362 H\n0.344296 0.874921 0.795483 H\n0.655704 0.125079 0.204517 H\n0.517849 0.557270 0.689132 H\n0.482151 0.442730 0.310868 H\n0.500131 0.710860 0.577999 H\n0.499869 0.289140 0.422001 H\n0.824962 0.691020 0.970502 H\n0.175038 0.308980 0.029498 H\n0.806912 0.493254 0.909021 H\n0.193088 0.506746 0.090979 H\n0.867958 0.382518 0.619216 H\n0.132042 0.617482 0.380784 H\n0.125429 0.430545 0.697032 H\n0.874571 0.569455 0.302968 H\n0.604697 0.143944 0.610464 H\n0.395303 0.856056 0.389536 H\n0.770391 0.124660 0.508894 H\n0.229609 0.875340 0.491106 H\n0.563498 0.766984 0.170177 S\n0.436502 0.233016 0.829823 S\n0.966004 0.833651 0.583266 O\n0.033996 0.166349 0.416734 O\n0.883899 0.952822 0.827507 O\n0.116101 0.047178 0.172493 O\n0.255280 0.764846 0.814887 O\n0.744720 0.235154 0.185113 O\n0.598040 0.660741 0.654351 O\n0.401960 0.339259 0.345649 O\n0.873214 0.617152 0.902684 O\n0.126786 0.382848 0.097316 O\n0.976879 0.475490 0.673253 O\n0.023121 0.524510 0.326747 O\n0.676401 0.204489 0.542862 O\n0.323599 0.795511 0.457138 O\n0.623721 0.629154 0.268122 O\n0.376279 0.370846 0.731878 O\n0.359597 0.699618 0.072299 O\n0.640403 0.300382 0.927701 O\n0.747319 0.818058 0.101223 O\n0.252681 0.181942 0.898777 O\n0.516515 0.929906 0.245136 O\n0.483485 0.070094 0.754864 O\n",
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"spacegroup": 2
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{
"id": "mp-18713",
"created_at": "2022-09-04T14:48:31.334565Z",
"structure_string": "Ba4 Li2 Cu6 O12\n1.0\n0.000000 5.782446 7.118254\n4.167660 0.000000 7.118254\n4.167660 5.782446 0.000000\nBa Li Cu O\n4 2 6 12\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.230220 0.769780 0.230220 Ba\n0.769780 0.230220 0.769780 Ba\n0.665787 0.665787 0.334213 Li\n0.334213 0.334213 0.665787 Li\n0.995863 0.310067 0.004137 Cu\n0.689933 0.004137 0.310067 Cu\n0.004137 0.689933 0.995863 Cu\n0.310067 0.995863 0.689933 Cu\n0.679101 0.320899 0.320899 Cu\n0.320899 0.679101 0.679101 Cu\n0.897242 0.295245 0.322672 O\n0.484841 0.322672 0.295245 O\n0.677328 0.515159 0.102758 O\n0.704755 0.102758 0.515159 O\n0.102758 0.704755 0.677328 O\n0.515159 0.677328 0.704755 O\n0.921621 0.693717 0.306283 O\n0.078379 0.306283 0.693717 O\n0.322672 0.484841 0.897242 O\n0.295245 0.897242 0.484841 O\n0.693717 0.921621 0.078379 O\n0.306283 0.078379 0.921621 O\n",
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"elements": [
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"formula_full": "Ba4 Li2 Cu6 O12",
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{
"id": "mp-1047051",
"created_at": "2022-09-04T14:48:31.335177Z",
"structure_string": "Ti6 Zn2 P8 O28\n1.0\n7.891310 0.000000 0.000000\n0.000000 7.628516 0.000000\n0.000000 3.670323 9.067229\nTi Zn P O\n6 2 8 28\ndirect\n0.135395 0.815735 0.527153 Ti\n0.635395 0.184265 0.972847 Ti\n0.864605 0.184265 0.472847 Ti\n0.364605 0.815735 0.027153 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.950694 0.393480 0.698827 P\n0.450694 0.606520 0.801173 P\n0.049306 0.606520 0.301173 P\n0.549306 0.393480 0.198827 P\n0.205890 0.116697 0.690962 P\n0.705890 0.883303 0.809038 P\n0.794110 0.883303 0.309038 P\n0.294110 0.116697 0.190962 P\n0.377143 0.136324 0.616377 O\n0.877143 0.863676 0.883623 O\n0.622857 0.863676 0.383623 O\n0.122857 0.136324 0.116377 O\n0.391836 0.732968 0.641224 O\n0.891836 0.267032 0.858776 O\n0.608164 0.267032 0.358776 O\n0.108164 0.732968 0.141224 O\n0.835542 0.352233 0.589361 O\n0.335542 0.647767 0.910639 O\n0.164458 0.647767 0.410639 O\n0.664458 0.352233 0.089361 O\n0.140028 0.319466 0.677736 O\n0.640028 0.680534 0.822264 O\n0.859972 0.680534 0.322264 O\n0.359972 0.319466 0.177736 O\n0.521154 0.600623 0.170892 O\n0.021154 0.399377 0.329108 O\n0.478846 0.399377 0.829108 O\n0.978846 0.600623 0.670892 O\n0.790426 0.992431 0.139761 O\n0.290426 0.007569 0.360239 O\n0.209574 0.007569 0.860239 O\n0.709574 0.992431 0.639761 O\n0.422823 0.032956 0.111350 O\n0.922823 0.967044 0.388650 O\n0.577177 0.967044 0.888650 O\n0.077177 0.032956 0.611350 O\n",
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"formula_full": "Ti6 Zn2 P8 O28",
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{
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{
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{
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"structure_string": "Na4 H24 S2 O22\n1.0\n7.180664 0.001580 0.000000\n0.001580 7.180664 0.000000\n3.591122 3.591122 11.254961\nNa H S O\n4 24 2 22\ndirect\n0.259868 0.008025 0.482193 Na\n0.508025 0.759868 0.982193 Na\n0.742062 0.990218 0.517807 Na\n0.490218 0.242062 0.017807 Na\n0.998676 0.654811 0.567491 H\n0.998681 0.276179 0.567529 H\n0.154811 0.498676 0.067491 H\n0.163891 0.938245 0.065260 H\n0.438245 0.663891 0.565260 H\n0.437005 0.270230 0.564978 H\n0.776179 0.498681 0.067529 H\n0.770230 0.937005 0.064978 H\n0.001983 0.335208 0.435022 H\n0.003505 0.729151 0.434740 H\n0.835208 0.501983 0.935022 H\n0.843707 0.066210 0.932471 H\n0.566210 0.343707 0.432471 H\n0.566167 0.722302 0.432509 H\n0.229151 0.503505 0.934740 H\n0.222302 0.066167 0.932509 H\n0.145038 0.764849 0.747494 H\n0.145130 0.986945 0.747550 H\n0.264849 0.645038 0.247494 H\n0.486945 0.645130 0.247550 H\n0.892680 0.234495 0.252450 H\n0.892531 0.012343 0.252506 H\n0.734495 0.392680 0.752450 H\n0.512343 0.392531 0.752506 H\n0.124140 0.374140 0.750000 S\n0.874140 0.624140 0.250000 S\n0.001308 0.775479 0.502654 O\n0.000426 0.220749 0.502772 O\n0.275479 0.501308 0.002654 O\n0.278133 0.003962 0.997346 O\n0.503962 0.778133 0.497346 O\n0.503197 0.223521 0.497228 O\n0.720749 0.500426 0.002772 O\n0.723521 0.003197 0.997228 O\n0.369856 0.119856 0.250000 O\n0.619856 0.869856 0.750000 O\n0.992051 0.411943 0.673060 O\n0.911943 0.492051 0.173060 O\n0.911943 0.832990 0.173076 O\n0.332990 0.411943 0.673076 O\n0.006066 0.585019 0.326924 O\n0.085019 0.506066 0.826924 O\n0.085004 0.165112 0.826940 O\n0.665112 0.585004 0.326940 O\n0.188828 0.901357 0.696295 O\n0.401357 0.688828 0.196295 O\n0.597652 0.385123 0.803705 O\n0.885123 0.097652 0.303705 O\n",
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{
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"structure_string": "Na2 Sn1 O6\n1.0\n4.222196 -3.235848 0.000000\n4.222196 3.235848 0.000000\n1.742275 0.000000 5.026145\nNa Sn O\n2 1 6\ndirect\n0.678338 0.678338 0.678338 Na\n0.321662 0.321662 0.321662 Na\n0.000000 0.000000 0.000000 Sn\n0.219966 0.912123 0.642081 O\n0.912123 0.642081 0.219966 O\n0.642081 0.219966 0.912123 O\n0.780034 0.087877 0.357919 O\n0.087877 0.357919 0.780034 O\n0.357919 0.780034 0.087877 O\n",
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