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{
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{
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"structure_string": "Cu8 H16 C16 N12 O4\n1.0\n8.405226 0.000000 0.000000\n0.000000 8.173026 0.000000\n0.000000 0.969091 8.804699\nCu H C N O\n8 16 16 12 4\ndirect\n0.238457 0.240403 0.583776 Cu\n0.203011 0.270218 0.878775 Cu\n0.738457 0.759597 0.416224 Cu\n0.703011 0.729782 0.121225 Cu\n0.317146 0.863575 0.414874 Cu\n0.265622 0.955074 0.138922 Cu\n0.817146 0.136425 0.585126 Cu\n0.765622 0.044926 0.861078 Cu\n0.384495 0.722277 0.656878 H\n0.156804 0.702332 0.852207 H\n0.310965 0.330871 0.726325 H\n0.722517 0.371068 0.872551 H\n0.686010 0.952147 0.640467 H\n0.986125 0.882474 0.042790 H\n0.280427 0.875224 0.863438 H\n0.173890 0.785885 0.588972 H\n0.673890 0.214115 0.411028 H\n0.780427 0.124776 0.136562 H\n0.186010 0.047853 0.359533 H\n0.486125 0.117526 0.957210 H\n0.222517 0.628932 0.127449 H\n0.810965 0.669129 0.273675 H\n0.884495 0.277723 0.343122 H\n0.656804 0.297668 0.147793 H\n0.761302 0.252939 0.085541 C\n0.589651 0.256544 0.496070 C\n0.082690 0.431442 0.557455 C\n0.487800 0.564641 0.984025 C\n0.582690 0.568558 0.442545 C\n0.987800 0.435359 0.015975 C\n0.089651 0.743456 0.503930 C\n0.261302 0.747061 0.914459 C\n0.399641 0.648433 0.871293 C\n0.627347 0.916134 0.533235 C\n0.959018 0.848641 0.467715 C\n0.540190 0.910650 0.110097 C\n0.459018 0.151359 0.532285 C\n0.040190 0.089350 0.889903 C\n0.127347 0.083866 0.466765 C\n0.899641 0.351567 0.128707 C\n0.724890 0.255068 0.927277 N\n0.578639 0.425237 0.479712 N\n0.065363 0.473879 0.905133 N\n0.078639 0.574763 0.520288 N\n0.565363 0.526121 0.094867 N\n0.224890 0.744932 0.072723 N\n0.770545 0.808547 0.895912 N\n0.489830 0.992656 0.504162 N\n0.036619 0.994348 0.006643 N\n0.989830 0.007344 0.495838 N\n0.536619 0.005652 0.993357 N\n0.270545 0.191453 0.104088 N\n0.288324 0.295047 0.192610 O\n0.945479 0.357022 0.274671 O\n0.445479 0.642978 0.725329 O\n0.788324 0.704953 0.807390 O\n",
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"spacegroup": 4
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{
"id": "mp-1044349",
"created_at": "2022-09-04T14:44:28.806670Z",
"structure_string": "Ca4 Mn12 O28\n1.0\n5.437350 0.000000 0.000000\n0.000000 10.434967 0.000000\n0.000000 0.000000 10.588816\nCa Mn O\n4 12 28\ndirect\n0.318645 0.056185 0.250000 Ca\n0.818645 0.443815 0.750000 Ca\n0.681355 0.943815 0.750000 Ca\n0.181355 0.556185 0.250000 Ca\n0.697636 0.705657 0.975322 Mn\n0.197636 0.794343 0.024678 Mn\n0.302364 0.294343 0.475322 Mn\n0.802364 0.205656 0.524678 Mn\n0.693577 0.771805 0.250000 Mn\n0.193577 0.728195 0.750000 Mn\n0.306423 0.228195 0.750000 Mn\n0.806423 0.271805 0.250000 Mn\n0.197636 0.794343 0.475322 Mn\n0.697636 0.705657 0.524678 Mn\n0.802364 0.205656 0.975322 Mn\n0.302364 0.294343 0.024678 Mn\n0.061995 0.278483 0.880223 O\n0.561995 0.221517 0.119777 O\n0.938005 0.721517 0.380223 O\n0.438005 0.778483 0.619777 O\n0.938005 0.721517 0.119777 O\n0.438005 0.778483 0.880223 O\n0.061995 0.278483 0.619777 O\n0.561995 0.221517 0.380223 O\n0.538952 0.281299 0.881068 O\n0.038952 0.218701 0.118932 O\n0.461048 0.718701 0.381068 O\n0.961048 0.781299 0.618932 O\n0.461048 0.718701 0.118932 O\n0.961048 0.781299 0.881068 O\n0.538952 0.281299 0.618932 O\n0.038952 0.218701 0.381068 O\n0.822909 0.435578 0.250000 O\n0.322909 0.064422 0.750000 O\n0.177091 0.564422 0.750000 O\n0.677091 0.935578 0.250000 O\n0.784091 0.050779 0.572377 O\n0.284091 0.449221 0.427623 O\n0.215909 0.949221 0.072377 O\n0.715909 0.550779 0.927623 O\n0.215909 0.949221 0.427623 O\n0.715909 0.550779 0.572377 O\n0.784091 0.050779 0.927623 O\n0.284091 0.449221 0.072377 O\n",
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"volume": 600.7942547224997,
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"formula_full": "Ca4 Mn12 O28",
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"spacegroup": 62
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{
"id": "mp-1201735",
"created_at": "2022-09-04T14:41:26.787865Z",
"structure_string": "La21 Mn8 Sn7 C12\n1.0\n0.000000 8.262739 8.262739\n8.262739 0.000000 8.262739\n8.262739 8.262739 0.000000\nLa Mn Sn C\n21 8 7 12\ndirect\n0.000000 0.000000 0.339724 La\n0.660276 0.000000 0.339724 La\n0.000000 0.660276 0.339724 La\n0.660276 0.339724 0.000000 La\n0.000000 0.339724 0.000000 La\n0.000000 0.339724 0.660276 La\n0.339724 0.660276 0.000000 La\n0.339724 0.000000 0.660276 La\n0.339724 0.000000 0.000000 La\n0.000000 0.000000 0.660276 La\n0.000000 0.660276 0.000000 La\n0.660276 0.000000 0.000000 La\n0.634261 0.634261 0.097218 La\n0.634261 0.097218 0.634261 La\n0.097218 0.634261 0.634261 La\n0.634261 0.634261 0.634261 La\n0.365739 0.365739 0.902782 La\n0.365739 0.902782 0.365739 La\n0.902782 0.365739 0.365739 La\n0.365739 0.365739 0.365739 La\n0.500000 0.500000 0.500000 La\n0.802351 0.802351 0.592948 Mn\n0.802351 0.592948 0.802351 Mn\n0.592948 0.802351 0.802351 Mn\n0.802351 0.802351 0.802351 Mn\n0.197649 0.197649 0.407052 Mn\n0.197649 0.407052 0.197649 Mn\n0.407052 0.197649 0.197649 Mn\n0.197649 0.197649 0.197649 Mn\n0.710281 0.710281 0.289719 Sn\n0.289719 0.710281 0.289719 Sn\n0.710281 0.289719 0.289719 Sn\n0.289719 0.289719 0.710281 Sn\n0.710281 0.289719 0.710281 Sn\n0.289719 0.710281 0.710281 Sn\n0.000000 0.000000 0.000000 Sn\n0.891861 0.891861 0.608139 C\n0.608139 0.891861 0.608139 C\n0.891861 0.608139 0.608139 C\n0.608139 0.608139 0.891861 C\n0.891861 0.608139 0.891861 C\n0.608139 0.891861 0.891861 C\n0.108139 0.108139 0.391861 C\n0.391861 0.108139 0.391861 C\n0.108139 0.391861 0.391861 C\n0.391861 0.391861 0.108139 C\n0.108139 0.391861 0.108139 C\n0.391861 0.108139 0.108139 C\n",
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{
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"structure_string": "Li8 W4 O48\n1.0\n10.155785 0.000000 0.000000\n0.000000 6.810900 0.000000\n0.000000 1.288138 12.814956\nLi W O\n8 4 48\ndirect\n0.682514 0.714471 0.049770 Li\n0.317486 0.285529 0.950230 Li\n0.182514 0.285529 0.450230 Li\n0.817486 0.714471 0.549770 Li\n0.577829 0.890220 0.340073 Li\n0.422171 0.109780 0.659927 Li\n0.077829 0.109780 0.159927 Li\n0.922171 0.890220 0.840073 Li\n0.615875 0.469486 0.250108 W\n0.384125 0.530514 0.749892 W\n0.115875 0.530514 0.249892 W\n0.884125 0.469486 0.750108 W\n0.418227 0.866827 0.456861 O\n0.581773 0.133173 0.543139 O\n0.918227 0.133173 0.043139 O\n0.081773 0.866827 0.956861 O\n0.646550 0.764028 0.209235 O\n0.353450 0.235972 0.790765 O\n0.146550 0.235972 0.290765 O\n0.853450 0.764028 0.709235 O\n0.077134 0.818862 0.217384 O\n0.922866 0.181138 0.782616 O\n0.577134 0.181138 0.282616 O\n0.422866 0.818862 0.717384 O\n0.503866 0.713465 0.229994 O\n0.496134 0.286535 0.770006 O\n0.003866 0.286535 0.270006 O\n0.996134 0.713465 0.729994 O\n0.496151 0.909542 0.001795 O\n0.503849 0.090458 0.998205 O\n0.996151 0.090458 0.498205 O\n0.003849 0.909542 0.501795 O\n0.747301 0.421019 0.141309 O\n0.252699 0.578981 0.858691 O\n0.247301 0.578981 0.358691 O\n0.752699 0.421019 0.641309 O\n0.636078 0.530145 0.399743 O\n0.363922 0.469855 0.600257 O\n0.136078 0.469855 0.100257 O\n0.863922 0.530145 0.899743 O\n0.611815 0.451778 0.095703 O\n0.388185 0.548222 0.904297 O\n0.111815 0.548222 0.404297 O\n0.888185 0.451778 0.595703 O\n0.956539 0.696935 0.223505 O\n0.043461 0.303065 0.776495 O\n0.456539 0.303065 0.276495 O\n0.543461 0.696935 0.723505 O\n0.757524 0.458926 0.358669 O\n0.242476 0.541074 0.641331 O\n0.257524 0.541074 0.141331 O\n0.742476 0.458926 0.858669 O\n0.876095 0.952734 0.043996 O\n0.123905 0.047266 0.956004 O\n0.376095 0.047266 0.456004 O\n0.623905 0.952734 0.543996 O\n0.711680 0.920818 0.466081 O\n0.288320 0.079182 0.533919 O\n0.211680 0.079182 0.033919 O\n0.788320 0.920818 0.966081 O\n",
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{
"id": "mp-1182600",
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"structure_string": "Na8 S4 O56\n1.0\n6.694117 0.000000 0.000000\n0.000000 11.166522 0.000000\n0.000000 2.084229 15.100607\nNa S O\n8 4 56\ndirect\n0.020850 0.747490 0.733328 Na\n0.520850 0.252510 0.766672 Na\n0.979150 0.252510 0.266672 Na\n0.479150 0.747490 0.233328 Na\n0.329279 0.734630 0.940672 Na\n0.829279 0.265370 0.559328 Na\n0.670721 0.265370 0.059328 Na\n0.170721 0.734630 0.440672 Na\n0.568504 0.722230 0.765142 S\n0.068504 0.277770 0.734858 S\n0.431496 0.277770 0.234858 S\n0.931496 0.722230 0.265142 S\n0.915419 0.927230 0.556319 O\n0.415419 0.072770 0.943681 O\n0.084581 0.072770 0.443681 O\n0.584581 0.927230 0.056319 O\n0.057453 0.640234 0.601052 O\n0.557453 0.359766 0.898948 O\n0.942547 0.359766 0.398948 O\n0.442547 0.640234 0.101052 O\n0.327808 0.992195 0.641997 O\n0.827808 0.007805 0.858003 O\n0.672192 0.007805 0.358003 O\n0.172192 0.992195 0.141997 O\n0.941135 0.582123 0.943106 O\n0.441135 0.417877 0.556894 O\n0.058865 0.417877 0.056894 O\n0.558865 0.582123 0.443106 O\n0.068438 0.869632 0.868910 O\n0.568438 0.130368 0.631090 O\n0.931562 0.130368 0.131090 O\n0.431562 0.869632 0.368910 O\n0.410483 0.528002 0.927165 O\n0.910483 0.471998 0.572835 O\n0.589517 0.471998 0.072835 O\n0.089517 0.528002 0.427165 O\n0.529608 0.896721 0.985283 O\n0.029608 0.103279 0.514717 O\n0.470392 0.103279 0.014717 O\n0.970392 0.896721 0.485283 O\n0.998827 0.605792 0.015586 O\n0.498827 0.394208 0.484414 O\n0.001173 0.394208 0.984414 O\n0.501173 0.605792 0.515586 O\n0.618516 0.594942 0.755509 O\n0.118516 0.405058 0.744491 O\n0.381484 0.405058 0.244491 O\n0.881484 0.594942 0.255509 O\n0.691147 0.802994 0.700758 O\n0.191147 0.197006 0.799242 O\n0.308853 0.197006 0.299242 O\n0.808853 0.802994 0.200758 O\n0.351971 0.747529 0.753034 O\n0.851971 0.252471 0.746966 O\n0.648029 0.252471 0.246966 O\n0.148029 0.747529 0.253034 O\n0.626221 0.742414 0.857506 O\n0.126221 0.257586 0.642494 O\n0.373779 0.257586 0.142494 O\n0.873779 0.742414 0.357506 O\n0.890082 0.575911 0.600332 O\n0.390082 0.424089 0.899668 O\n0.109918 0.424089 0.399668 O\n0.609918 0.575911 0.100332 O\n0.979566 0.961524 0.900231 O\n0.479566 0.038476 0.599769 O\n0.020434 0.038476 0.099769 O\n0.520434 0.961524 0.400231 O\n",
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