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{
"id": "mp-1245015",
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"structure_string": "Zn40 O40\n1.0\n10.429499 -0.123363 0.511488\n-0.119240 9.975551 0.106468\n0.532365 0.112261 10.778080\nZn O\n40 40\ndirect\n0.469373 0.867054 0.327651 Zn\n0.906871 0.542261 0.907099 Zn\n0.550493 0.449389 0.309841 Zn\n0.508160 0.130577 0.482907 Zn\n0.378133 0.666228 0.206314 Zn\n0.014695 0.505071 0.624016 Zn\n0.892259 0.758734 0.606708 Zn\n0.243417 0.939208 0.198847 Zn\n0.052136 0.047566 0.512444 Zn\n0.818962 0.602144 0.407160 Zn\n0.553593 0.532055 0.575472 Zn\n0.664277 0.654614 0.059541 Zn\n0.099269 0.431540 0.331189 Zn\n0.211185 0.245079 0.619696 Zn\n0.997262 0.150639 0.274402 Zn\n0.126075 0.724890 0.385696 Zn\n0.050859 0.297830 0.016979 Zn\n0.364008 0.230790 0.987435 Zn\n0.478511 0.655107 0.834041 Zn\n0.513244 0.991545 0.011079 Zn\n0.390527 0.985195 0.745073 Zn\n0.115855 0.089541 0.847530 Zn\n0.829899 0.038099 0.043922 Zn\n0.603394 0.816587 0.584049 Zn\n0.294396 0.477317 0.507278 Zn\n0.925297 0.775369 0.113000 Zn\n0.757813 0.051761 0.578863 Zn\n0.763321 0.809104 0.836228 Zn\n0.227563 0.465812 0.840732 Zn\n0.910254 0.249747 0.765719 Zn\n0.891132 0.908959 0.344106 Zn\n0.512423 0.248017 0.726880 Zn\n0.526173 0.194191 0.177799 Zn\n0.288762 0.203169 0.315627 Zn\n0.850853 0.445020 0.196597 Zn\n0.154088 0.592771 0.081865 Zn\n0.731096 0.498788 0.743363 Zn\n0.233920 0.799792 0.939616 Zn\n0.793895 0.303331 0.486036 Zn\n0.654115 0.294460 0.965936 Zn\n0.644923 0.200541 0.585587 O\n0.481201 0.108067 0.865485 O\n0.430880 0.855911 0.120104 O\n0.883243 0.123642 0.445981 O\n0.053670 0.139190 0.673717 O\n0.798078 0.372348 0.873862 O\n0.292035 0.807550 0.336648 O\n0.498272 0.342827 0.053772 O\n0.712252 0.648151 0.562778 O\n0.222888 0.943459 0.832168 O\n0.188578 0.447584 0.666107 O\n0.550859 0.607093 0.201916 O\n0.205218 0.325536 0.437445 O\n0.654438 0.646125 0.875590 O\n0.656487 0.112641 0.061306 O\n0.215576 0.267512 0.902078 O\n0.470002 0.810529 0.718435 O\n0.537647 0.444890 0.733993 O\n0.450436 0.553251 0.446106 O\n0.920604 0.635201 0.743146 O\n0.003481 0.855109 0.480658 O\n0.480815 0.255449 0.343486 O\n0.120456 0.794409 0.097850 O\n0.148048 0.065937 0.342138 O\n0.215536 0.564682 0.239824 O\n0.836747 0.579193 0.075491 O\n0.865220 0.378935 0.630901 O\n0.004005 0.333378 0.203088 O\n0.844367 0.739104 0.283812 O\n0.922486 0.007989 0.188073 O\n0.013626 0.567963 0.445706 O\n0.742028 0.424552 0.352986 O\n0.071186 0.489322 0.962364 O\n0.374190 0.151984 0.629116 O\n0.309520 0.621060 0.921405 O\n0.571457 0.944185 0.443597 O\n0.764976 0.893977 0.674185 O\n0.954967 0.156916 0.930944 O\n0.799749 0.847031 0.999932 O\n0.338056 0.119487 0.150334 O\n",
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"elements": [
"Zn",
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],
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"volume": 1118.3380707600904,
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"formula_full": "Zn40 O40",
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"spacegroup": 1
},
{
"id": "mp-30537",
"created_at": "2022-09-04T14:41:17.442074Z",
"structure_string": "Tb4 P20 O56\n1.0\n9.017364 0.000000 0.000000\n0.000000 8.836341 0.000000\n0.000000 0.103289 13.009147\nTb P O\n4 20 56\ndirect\n0.688086 0.777225 0.501338 Tb\n0.188086 0.222775 0.998662 Tb\n0.311914 0.222775 0.498662 Tb\n0.811914 0.777225 0.001338 Tb\n0.502899 0.506267 0.329102 P\n0.002899 0.493733 0.170898 P\n0.497101 0.493733 0.670898 P\n0.997101 0.506267 0.829102 P\n0.454972 0.745605 0.165271 P\n0.954972 0.254395 0.334729 P\n0.545028 0.254395 0.834729 P\n0.045028 0.745605 0.665271 P\n0.244431 0.817130 0.000010 P\n0.744431 0.182870 0.499990 P\n0.755569 0.182870 0.999990 P\n0.255569 0.817130 0.500010 P\n0.450389 0.728246 0.835620 P\n0.950389 0.271754 0.664380 P\n0.549611 0.271754 0.164380 P\n0.049611 0.728246 0.335620 P\n0.494522 0.992232 0.700000 P\n0.994522 0.007768 0.800000 P\n0.505478 0.007768 0.300000 P\n0.005478 0.992232 0.200000 P\n0.384411 0.416135 0.380278 O\n0.884411 0.583865 0.119722 O\n0.615589 0.583865 0.619722 O\n0.115589 0.416135 0.880278 O\n0.623435 0.580725 0.388339 O\n0.123435 0.419275 0.111661 O\n0.376565 0.419275 0.611661 O\n0.876565 0.580725 0.888339 O\n0.420551 0.632829 0.256485 O\n0.920551 0.367171 0.243515 O\n0.579449 0.367171 0.743515 O\n0.079449 0.632829 0.756485 O\n0.596272 0.724095 0.109754 O\n0.096272 0.275905 0.390246 O\n0.403728 0.275905 0.890246 O\n0.903728 0.724095 0.609754 O\n0.309858 0.723481 0.099345 O\n0.809858 0.276519 0.400655 O\n0.690142 0.276519 0.900655 O\n0.081958 0.789072 0.999647 O\n0.190142 0.723481 0.599345 O\n0.810309 0.028077 0.505038 O\n0.689691 0.028077 0.005038 O\n0.189691 0.971923 0.494962 O\n0.117961 0.085820 0.145082 O\n0.617961 0.914180 0.354918 O\n0.882039 0.914180 0.854918 O\n0.382039 0.085820 0.645082 O\n0.884019 0.910633 0.146531 O\n0.384019 0.089367 0.353469 O\n0.115981 0.089367 0.853469 O\n0.615981 0.910633 0.646531 O\n0.097330 0.873545 0.271430 O\n0.597330 0.126455 0.228570 O\n0.902670 0.126455 0.728570 O\n0.402670 0.873545 0.771430 O\n0.927423 0.092223 0.288764 O\n0.427423 0.907777 0.211236 O\n0.072577 0.907777 0.711236 O\n0.572577 0.092223 0.788764 O\n0.902357 0.732812 0.384969 O\n0.402357 0.267188 0.115031 O\n0.097643 0.267188 0.615031 O\n0.597643 0.732812 0.884969 O\n0.185704 0.709079 0.410531 O\n0.685704 0.290921 0.089469 O\n0.814296 0.290921 0.589469 O\n0.314296 0.709079 0.910531 O\n0.082218 0.592124 0.261404 O\n0.582218 0.407876 0.238596 O\n0.917782 0.407876 0.738596 O\n0.417782 0.592124 0.761404 O\n0.418042 0.789072 0.499647 O\n0.918042 0.210928 0.000353 O\n0.581958 0.210928 0.500353 O\n0.310309 0.971923 0.994962 O\n",
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"elements": [
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"P",
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],
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"formula_full": "Tb4 P20 O56",
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"formula_anonymous": "AB5C14",
"energy": -629.77724639,
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{
"id": "mp-559300",
"created_at": "2022-09-04T14:41:20.538549Z",
"structure_string": "K8 Li8 P16 O48\n1.0\n5.617074 0.000000 0.000000\n0.000000 13.990334 0.000000\n0.000000 4.948243 14.887142\nK Li P O\n8 8 16 48\ndirect\n0.675168 0.624948 0.632652 K\n0.824832 0.624948 0.132652 K\n0.332799 0.123986 0.640220 K\n0.324832 0.375052 0.367348 K\n0.832799 0.876014 0.859780 K\n0.667201 0.876014 0.359780 K\n0.175168 0.375052 0.867348 K\n0.167201 0.123986 0.140220 K\n0.304861 0.069809 0.889865 Li\n0.316178 0.427069 0.137244 Li\n0.816178 0.572931 0.362756 Li\n0.183822 0.427069 0.637244 Li\n0.195139 0.069809 0.389865 Li\n0.683822 0.572931 0.862756 Li\n0.804861 0.930191 0.610135 Li\n0.695139 0.930191 0.110135 Li\n0.150759 0.641963 0.485016 P\n0.316475 0.645673 0.307015 P\n0.816475 0.354327 0.192985 P\n0.668006 0.160395 0.979536 P\n0.691513 0.144111 0.307271 P\n0.191513 0.855889 0.192729 P\n0.831994 0.160395 0.479536 P\n0.331994 0.839605 0.020464 P\n0.168006 0.839605 0.520464 P\n0.183525 0.645673 0.807014 P\n0.683525 0.354327 0.692986 P\n0.650759 0.358037 0.014984 P\n0.308487 0.855889 0.692729 P\n0.808487 0.144111 0.807271 P\n0.849241 0.358037 0.514984 P\n0.349241 0.641963 0.985016 P\n0.219510 0.934482 0.961995 O\n0.557599 0.624184 0.277122 O\n0.754343 0.246664 0.021563 O\n0.337330 0.617093 0.415984 O\n0.222231 0.766711 0.781529 O\n0.940517 0.884429 0.206344 O\n0.904418 0.834000 0.538687 O\n0.600285 0.403809 0.215995 O\n0.595582 0.834000 0.038687 O\n0.057599 0.375816 0.222878 O\n0.883675 0.065299 0.327122 O\n0.598443 0.650662 0.948537 O\n0.662670 0.382907 0.584016 O\n0.399715 0.596191 0.784005 O\n0.059483 0.115571 0.793656 O\n0.254343 0.753336 0.478437 O\n0.204533 0.571928 0.576933 O\n0.795467 0.428072 0.423067 O\n0.245657 0.753336 0.978437 O\n0.442401 0.375816 0.722878 O\n0.899715 0.403809 0.715995 O\n0.116325 0.934701 0.672878 O\n0.616325 0.065299 0.827122 O\n0.688731 0.200934 0.383506 O\n0.162670 0.617093 0.915984 O\n0.901557 0.650662 0.448537 O\n0.311269 0.799066 0.616494 O\n0.188731 0.799066 0.116494 O\n0.440517 0.115571 0.293656 O\n0.722231 0.233289 0.718471 O\n0.719510 0.065518 0.538005 O\n0.280490 0.934482 0.461995 O\n0.401557 0.349338 0.051463 O\n0.383675 0.934701 0.172878 O\n0.837330 0.382907 0.084016 O\n0.100285 0.596191 0.284005 O\n0.295467 0.571928 0.076933 O\n0.942401 0.624184 0.777122 O\n0.404418 0.166000 0.961313 O\n0.745657 0.246664 0.521563 O\n0.098443 0.349338 0.551463 O\n0.277769 0.766711 0.281529 O\n0.095582 0.166000 0.461313 O\n0.811269 0.200934 0.883506 O\n0.704533 0.428072 0.923067 O\n0.559483 0.884429 0.706344 O\n0.780490 0.065518 0.038005 O\n0.777769 0.233289 0.218471 O\n",
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"elements": [
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],
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"volume": 1169.9022037000268,
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"formula_full": "K8 Li8 P16 O48",
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"spacegroup": 14
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{
"id": "mp-1209859",
"created_at": "2022-09-04T14:41:55.783668Z",
"structure_string": "Rb8 Pr16 Cl56\n1.0\n9.857165 0.000000 0.000000\n0.000000 14.935855 0.000000\n0.000000 0.000000 16.885856\nRb Pr Cl\n8 16 56\ndirect\n0.250000 0.914708 0.595524 Rb\n0.750000 0.085292 0.404476 Rb\n0.750000 0.585292 0.095524 Rb\n0.250000 0.414708 0.904476 Rb\n0.250000 0.566120 0.567303 Rb\n0.750000 0.433880 0.432697 Rb\n0.750000 0.933880 0.067303 Rb\n0.250000 0.066120 0.932697 Rb\n0.026892 0.744212 0.838721 Pr\n0.973108 0.255788 0.161279 Pr\n0.973108 0.755788 0.338721 Pr\n0.526892 0.255788 0.161279 Pr\n0.026892 0.244212 0.661279 Pr\n0.473108 0.744212 0.838721 Pr\n0.473108 0.244212 0.661279 Pr\n0.526892 0.755788 0.338721 Pr\n0.250000 0.709778 0.060382 Pr\n0.750000 0.290222 0.939618 Pr\n0.750000 0.790222 0.560382 Pr\n0.250000 0.209778 0.439618 Pr\n0.250000 0.510942 0.255415 Pr\n0.750000 0.489058 0.744585 Pr\n0.750000 0.989058 0.755415 Pr\n0.250000 0.010942 0.244585 Pr\n0.575990 0.915592 0.880844 Cl\n0.424010 0.084408 0.119156 Cl\n0.424010 0.584408 0.380844 Cl\n0.075990 0.084408 0.119156 Cl\n0.575990 0.415592 0.619156 Cl\n0.924010 0.915592 0.880844 Cl\n0.924010 0.415592 0.619156 Cl\n0.075990 0.584408 0.380844 Cl\n0.022416 0.781055 0.504667 Cl\n0.977584 0.218945 0.495333 Cl\n0.977584 0.718945 0.004667 Cl\n0.522416 0.218945 0.495333 Cl\n0.022416 0.281055 0.995333 Cl\n0.477584 0.781055 0.504667 Cl\n0.477584 0.281055 0.995333 Cl\n0.522416 0.718945 0.004667 Cl\n0.250000 0.809682 0.340927 Cl\n0.750000 0.190318 0.659073 Cl\n0.750000 0.690318 0.840927 Cl\n0.250000 0.309682 0.159073 Cl\n0.250000 0.756009 0.730077 Cl\n0.750000 0.243991 0.269923 Cl\n0.750000 0.743991 0.230077 Cl\n0.250000 0.256009 0.769923 Cl\n0.576206 0.831944 0.697185 Cl\n0.423794 0.168056 0.302815 Cl\n0.423794 0.668056 0.197185 Cl\n0.076206 0.168056 0.302815 Cl\n0.576206 0.331944 0.802815 Cl\n0.923794 0.831944 0.697185 Cl\n0.923794 0.331944 0.802815 Cl\n0.076206 0.668056 0.197185 Cl\n0.011693 0.571077 0.766658 Cl\n0.988307 0.428923 0.233342 Cl\n0.988307 0.928923 0.266658 Cl\n0.511693 0.428923 0.233342 Cl\n0.011693 0.071077 0.733342 Cl\n0.488307 0.571077 0.766658 Cl\n0.488307 0.071077 0.733342 Cl\n0.511693 0.928923 0.266658 Cl\n0.250000 0.522638 0.084092 Cl\n0.750000 0.477362 0.915908 Cl\n0.750000 0.977362 0.584092 Cl\n0.250000 0.022638 0.415908 Cl\n0.250000 0.878976 0.123185 Cl\n0.750000 0.121024 0.876815 Cl\n0.750000 0.621024 0.623185 Cl\n0.250000 0.378976 0.376815 Cl\n0.250000 0.841862 0.920199 Cl\n0.750000 0.158138 0.079801 Cl\n0.750000 0.658138 0.420199 Cl\n0.250000 0.341862 0.579801 Cl\n0.250000 0.629188 0.903286 Cl\n0.750000 0.370812 0.096714 Cl\n0.750000 0.870812 0.403286 Cl\n0.250000 0.129188 0.596714 Cl\n",
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"elements": [
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"volume": 2486.023309806103,
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"formula_full": "Rb8 Pr16 Cl56",
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},
{
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}