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{
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{
"id": "mp-1214189",
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"structure_string": "Be6 Si6 C8 S2 O24\n1.0\n8.021437 0.000000 0.000000\n0.000000 8.021437 0.000000\n0.000000 0.000000 8.021437\nBe Si C S O\n6 6 8 2 24\ndirect\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.750000 0.000000 Be\n0.000000 0.500000 0.250000 Be\n0.000000 0.500000 0.750000 Be\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.169518 0.169518 0.169518 C\n0.830482 0.830482 0.169518 C\n0.830482 0.169518 0.830482 C\n0.669518 0.669518 0.669518 C\n0.169518 0.830482 0.830482 C\n0.330482 0.330482 0.669518 C\n0.669518 0.330482 0.330482 C\n0.330482 0.669518 0.330482 C\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.137966 0.136178 0.399231 O\n0.862034 0.863822 0.399231 O\n0.862034 0.136178 0.600769 O\n0.399231 0.137966 0.136178 O\n0.636178 0.637966 0.899231 O\n0.137966 0.863822 0.600769 O\n0.399231 0.862034 0.863822 O\n0.363822 0.362034 0.899231 O\n0.600769 0.862034 0.136178 O\n0.636178 0.362034 0.100769 O\n0.600769 0.137966 0.863822 O\n0.363822 0.637966 0.100769 O\n0.136178 0.399231 0.137966 O\n0.637966 0.899231 0.636178 O\n0.136178 0.600769 0.862034 O\n0.362034 0.100769 0.636178 O\n0.863822 0.600769 0.137966 O\n0.637966 0.100769 0.363822 O\n0.863822 0.399231 0.862034 O\n0.362034 0.899231 0.363822 O\n0.899231 0.636178 0.637966 O\n0.899231 0.363822 0.362034 O\n0.100769 0.363822 0.637966 O\n0.100769 0.636178 0.362034 O\n",
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{
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"created_at": "2022-09-04T14:41:12.737220Z",
"structure_string": "K4 Cd4 P12 H32 O52\n1.0\n-7.543504 0.000000 0.000000\n1.541645 11.406697 0.000000\n-0.125781 -1.981340 -14.464184\nK Cd P H O\n4 4 12 32 52\ndirect\n0.973136 0.317775 0.692571 K\n0.026864 0.682225 0.307429 K\n0.497307 0.338830 0.057869 K\n0.502693 0.661170 0.942131 K\n0.745492 0.752248 0.738176 Cd\n0.254508 0.247752 0.261824 Cd\n0.373097 0.142227 0.737898 Cd\n0.626903 0.857773 0.262102 Cd\n0.998154 0.872415 0.105105 P\n0.001846 0.127585 0.894895 P\n0.014957 0.714172 0.926902 P\n0.985043 0.285828 0.073098 P\n0.142454 0.911459 0.821593 P\n0.857546 0.088541 0.178407 P\n0.508071 0.623832 0.388021 P\n0.491929 0.376168 0.611979 P\n0.462592 0.783591 0.562852 P\n0.537408 0.216409 0.437148 P\n0.664742 0.408885 0.325075 P\n0.335258 0.591115 0.674925 P\n0.818049 0.500174 0.851226 H\n0.181951 0.499826 0.148774 H\n0.848052 0.408728 0.919220 H\n0.151948 0.591272 0.080780 H\n0.641855 0.183394 0.875584 H\n0.358145 0.816606 0.124416 H\n0.382409 0.690523 0.148037 H\n0.617591 0.309477 0.851963 H\n0.493195 0.099115 0.165810 H\n0.506805 0.900885 0.834190 H\n0.692875 0.952405 0.877955 H\n0.307125 0.047595 0.122045 H\n0.843137 0.890705 0.440456 H\n0.156863 0.109295 0.559544 H\n0.733424 0.003217 0.433792 H\n0.266576 0.996783 0.566208 H\n0.792230 0.547646 0.613580 H\n0.207770 0.452354 0.386420 H\n0.981972 0.603878 0.652300 H\n0.018028 0.396122 0.347700 H\n0.911510 0.182344 0.492228 H\n0.088490 0.817656 0.507772 H\n0.916465 0.735675 0.530594 H\n0.083535 0.264325 0.469406 H\n0.368833 0.999871 0.345020 H\n0.631167 0.000129 0.654980 H\n0.632514 0.105140 0.595976 H\n0.367486 0.894860 0.404024 H\n0.794592 0.520071 0.087143 H\n0.205408 0.479929 0.912857 H\n0.747146 0.647714 0.115372 H\n0.252854 0.352286 0.884628 H\n0.801658 0.103257 0.892440 O\n0.198342 0.896743 0.107560 O\n0.103195 0.188664 0.820934 O\n0.896805 0.811336 0.179066 O\n0.072918 0.199322 0.993909 O\n0.927082 0.800678 0.006091 O\n0.878623 0.367972 0.033383 O\n0.121377 0.632028 0.966617 O\n0.861172 0.664237 0.861265 O\n0.138828 0.335763 0.138735 O\n0.162365 0.804020 0.879417 O\n0.837635 0.195980 0.120583 O\n0.670806 0.042200 0.206577 O\n0.329194 0.957800 0.793423 O\n0.001563 0.878343 0.747774 O\n0.998437 0.121657 0.252226 O\n0.079982 0.005721 0.904125 O\n0.920018 0.994279 0.095875 O\n0.308544 0.596753 0.378879 O\n0.691456 0.403247 0.621121 O\n0.618432 0.681165 0.315761 O\n0.381568 0.318835 0.684239 O\n0.436150 0.300103 0.511655 O\n0.563850 0.699897 0.488345 O\n0.647379 0.139742 0.482823 O\n0.352621 0.860258 0.517177 O\n0.605874 0.843375 0.631496 O\n0.394126 0.156625 0.368504 O\n0.319993 0.693871 0.610704 O\n0.680007 0.306129 0.389296 O\n0.476700 0.631457 0.749410 O\n0.523300 0.368543 0.250590 O\n0.148339 0.550227 0.702189 O\n0.851661 0.449773 0.297811 O\n0.592604 0.505708 0.402929 O\n0.407396 0.494292 0.597071 O\n0.806689 0.414716 0.856086 O\n0.193311 0.585284 0.143914 O\n0.546670 0.234025 0.866044 O\n0.453330 0.765975 0.133956 O\n0.382693 0.124292 0.142432 O\n0.617307 0.875708 0.857568 O\n0.216504 0.064364 0.601159 O\n0.783496 0.935636 0.398841 O\n0.129341 0.374539 0.375101 O\n0.870659 0.625461 0.624899 O\n0.964719 0.790157 0.487110 O\n0.035281 0.209843 0.512890 O\n0.370181 0.912719 0.339304 O\n0.629819 0.087281 0.660696 O\n0.704292 0.571868 0.078669 O\n0.295708 0.428132 0.921331 O\n",
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"formula_full": "K4 Cd4 P12 H32 O52",
"formula_reduced": "KCdP3H8O13",
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{
"id": "mp-1234461",
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"structure_string": "Ba2 Mg1 Nb6 N2 O14\n1.0\n9.770703 0.429342 0.020069\n0.498114 9.760711 0.966509\n0.011526 -0.381205 3.976615\nBa Mg Nb N O\n2 1 6 2 14\ndirect\n0.205763 0.010426 0.760839 Ba\n0.810356 0.112823 0.748144 Ba\n0.513044 0.944058 0.255865 Mg\n0.062040 0.305572 0.258496 Nb\n0.233865 0.472042 0.755946 Nb\n0.459566 0.254657 0.247829 Nb\n0.539260 0.699426 0.759644 Nb\n0.728289 0.523686 0.263041 Nb\n0.884034 0.739495 0.761913 Nb\n0.729539 0.577253 0.762359 N\n0.880319 0.378834 0.264199 N\n0.989229 0.884531 0.762464 O\n0.115879 0.293127 0.758266 O\n0.083359 0.595527 0.758582 O\n0.257943 0.415251 0.256161 O\n0.346838 0.099582 0.259383 O\n0.383230 0.597867 0.757606 O\n0.417556 0.290901 0.756337 O\n0.454160 0.891496 0.757588 O\n0.615508 0.119228 0.248363 O\n0.560600 0.719223 0.259397 O\n0.582604 0.403941 0.260923 O\n0.719509 0.857047 0.757546 O\n0.877598 0.690242 0.261173 O\n0.024604 0.119289 0.259634 O\n",
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"formula_full": "Ba2 Mg1 Nb6 N2 O14",
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{
"id": "mp-1519948",
"created_at": "2022-09-04T14:41:18.127474Z",
"structure_string": "K4 Pr4 Eu4 Sb4 O24\n1.0\n8.690537 0.000000 0.000000\n0.000000 8.457615 0.000000\n0.000000 0.000000 8.454115\nK Pr Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 -0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\n0.500000 0.500000 0.000000 Eu\n0.000000 -0.000000 0.500000 Eu\n0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.016564 0.192056 0.291649 O\n-0.016564 0.807944 0.291649 O\n-0.016564 0.192056 0.708351 O\n0.016564 0.807944 0.708351 O\n0.277820 0.021309 0.205185 O\n0.277820 0.978691 0.794815 O\n0.722180 0.978691 0.205185 O\n0.722180 0.021309 0.794815 O\n0.206891 0.283831 0.020588 O\n0.793109 0.283831 0.979412 O\n0.206891 0.716169 0.979412 O\n0.793109 0.716169 0.020588 O\n0.483436 0.307944 0.208351 O\n0.516564 0.692056 0.208351 O\n0.516564 0.307944 0.791649 O\n0.483436 0.692056 0.791649 O\n0.222180 0.478691 0.294815 O\n0.222180 0.521309 0.705185 O\n0.777820 0.521309 0.294815 O\n0.777820 0.478691 0.705185 O\n0.293109 0.216169 0.479412 O\n0.706891 0.216169 0.520588 O\n0.293109 0.783831 0.520588 O\n0.706891 0.783831 0.479412 O\n",
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{
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{
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"structure_string": "Pr4 Si2 C2 N4 O8\n1.0\n6.521029 0.000000 0.000000\n1.773216 6.498724 0.000000\n1.987028 0.052572 6.468477\nPr Si C N O\n4 2 2 4 8\ndirect\n0.540975 0.696518 0.202230 Pr\n0.459025 0.303482 0.797770 Pr\n0.943040 0.755521 0.667930 Pr\n0.056960 0.244479 0.332070 Pr\n0.038258 0.713358 0.184042 Si\n0.961742 0.286642 0.815958 Si\n0.439329 0.809115 0.706058 C\n0.560671 0.190885 0.293942 C\n0.525729 0.907309 0.790406 N\n0.474271 0.092691 0.209594 N\n0.360610 0.704455 0.620916 N\n0.639390 0.295545 0.379084 N\n0.885356 0.127789 0.695209 O\n0.114644 0.872211 0.304791 O\n0.142476 0.382677 0.629656 O\n0.857524 0.617323 0.370344 O\n0.901561 0.794313 0.017136 O\n0.098439 0.205687 0.982864 O\n0.732885 0.471078 0.895575 O\n0.267115 0.528922 0.104425 O\n",
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{
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"structure_string": "Ni1 P4 H16 N2 O16\n1.0\n-7.091017 0.000000 0.000000\n-0.200574 -7.317049 0.000000\n2.485146 1.053503 7.258410\nNi P H N O\n1 4 16 2 16\ndirect\n0.000000 0.500000 0.000000 Ni\n0.844828 0.260455 0.261840 P\n0.744578 0.788841 0.744971 P\n0.255422 0.211159 0.255029 P\n0.155172 0.739545 0.738160 P\n0.759437 0.023602 0.038708 H\n0.887526 0.309731 0.658363 H\n0.679359 0.613716 0.163941 H\n0.880783 0.174045 0.801144 H\n0.625059 0.840117 0.194227 H\n0.583970 0.701555 0.333901 H\n0.439077 0.678525 0.109758 H\n0.574581 0.278088 0.422252 H\n0.425419 0.721912 0.577748 H\n0.560923 0.321475 0.890242 H\n0.416030 0.298445 0.666099 H\n0.374941 0.159883 0.805773 H\n0.119217 0.825955 0.198856 H\n0.320641 0.386284 0.836059 H\n0.112474 0.690269 0.341637 H\n0.240563 0.976398 0.961292 H\n0.581650 0.707971 0.199996 N\n0.418350 0.292029 0.800004 N\n0.807351 0.383294 0.111701 O\n0.918580 0.766696 0.648363 O\n0.751155 0.062362 0.172012 O\n0.948654 0.284510 0.786425 O\n0.772412 0.331503 0.422029 O\n0.760633 0.985156 0.846546 O\n0.753397 0.636858 0.859091 O\n0.559498 0.762601 0.563724 O\n0.440502 0.237399 0.436276 O\n0.246603 0.363142 0.140909 O\n0.239367 0.014844 0.153454 O\n0.227588 0.668497 0.577971 O\n0.051346 0.715490 0.213575 O\n0.248845 0.937638 0.827988 O\n0.081420 0.233304 0.351637 O\n0.192649 0.616706 0.888299 O\n",
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