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{
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{
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"created_at": "2022-09-04T14:41:06.608804Z",
"structure_string": "Te4 H72 C36 S24 N12 Cl4\n1.0\n9.454016 0.000000 0.000000\n0.000000 14.614235 0.000000\n0.000000 0.000000 15.633955\nTe H C S N Cl\n4 72 36 24 12 4\ndirect\n0.665759 0.997052 0.028344 Te\n0.334241 0.497052 0.971656 Te\n0.834241 0.497052 0.528344 Te\n0.165759 0.997052 0.471656 Te\n0.984195 0.668485 0.194253 H\n0.015805 0.168485 0.805747 H\n0.515805 0.168485 0.694253 H\n0.484195 0.668485 0.305747 H\n0.853288 0.748333 0.230754 H\n0.146712 0.248333 0.769246 H\n0.646712 0.248333 0.730754 H\n0.353288 0.748333 0.269246 H\n0.033398 0.757633 0.266129 H\n0.966602 0.257633 0.733871 H\n0.466602 0.257633 0.766129 H\n0.533398 0.757633 0.233871 H\n0.136119 0.767171 0.036200 H\n0.863881 0.267171 0.963800 H\n0.363881 0.267171 0.536200 H\n0.636119 0.767171 0.463800 H\n0.199581 0.852116 0.109357 H\n0.800419 0.352116 0.890643 H\n0.300419 0.352116 0.609357 H\n0.699581 0.852116 0.390643 H\n0.191976 0.734959 0.140634 H\n0.808024 0.234959 0.859366 H\n0.308024 0.234959 0.640634 H\n0.691976 0.734959 0.359366 H\n0.057398 0.119662 0.003580 H\n0.942602 0.619662 0.996420 H\n0.442602 0.619662 0.503580 H\n0.557398 0.119662 0.496420 H\n0.110026 0.216302 0.064975 H\n0.889974 0.716302 0.935025 H\n0.389974 0.716302 0.564975 H\n0.610026 0.216302 0.435025 H\n0.215694 0.182141 0.975779 H\n0.784306 0.682141 0.024221 H\n0.284306 0.682141 0.475779 H\n0.715694 0.182141 0.524221 H\n0.229162 0.035990 0.206952 H\n0.770838 0.535990 0.793048 H\n0.270838 0.535990 0.706952 H\n0.729162 0.035990 0.293048 H\n0.120449 0.135152 0.195986 H\n0.879551 0.635152 0.804014 H\n0.379551 0.635152 0.695986 H\n0.620449 0.135152 0.304014 H\n0.065225 0.030374 0.148393 H\n0.934775 0.530374 0.851607 H\n0.434775 0.530374 0.648393 H\n0.565225 0.030374 0.351607 H\n0.777327 0.932336 0.686012 H\n0.222673 0.432336 0.313988 H\n0.722673 0.432336 0.186012 H\n0.277327 0.932336 0.813988 H\n0.620551 0.999831 0.679416 H\n0.379449 0.499831 0.320584 H\n0.879449 0.499831 0.179416 H\n0.120551 0.999831 0.820584 H\n0.625681 0.888955 0.631392 H\n0.374319 0.388955 0.368608 H\n0.874319 0.388955 0.131392 H\n0.125681 0.888955 0.868608 H\n0.511273 0.788965 0.687710 H\n0.488727 0.288965 0.312290 H\n0.988727 0.288965 0.187710 H\n0.011273 0.788965 0.812290 H\n0.568526 0.745472 0.788537 H\n0.431474 0.245472 0.211463 H\n0.931474 0.245472 0.288537 H\n0.068526 0.745472 0.711463 H\n0.414751 0.815374 0.783004 H\n0.585249 0.315374 0.216996 H\n0.085249 0.315374 0.283004 H\n0.914751 0.815374 0.716996 H\n0.964115 0.740158 0.211971 C\n0.035885 0.240158 0.788029 C\n0.535885 0.240158 0.711971 C\n0.464115 0.740158 0.288029 C\n0.138617 0.788411 0.103587 C\n0.861383 0.288411 0.896413 C\n0.361383 0.288411 0.603587 C\n0.638617 0.788411 0.396413 C\n0.149562 0.157468 0.028270 C\n0.850438 0.657468 0.971730 C\n0.350438 0.657468 0.528270 C\n0.649562 0.157468 0.471730 C\n0.157806 0.072806 0.163950 C\n0.842194 0.572806 0.836050 C\n0.342194 0.572806 0.663950 C\n0.657806 0.072806 0.336050 C\n0.661141 0.929685 0.686004 C\n0.338859 0.429685 0.313996 C\n0.838859 0.429685 0.186004 C\n0.161141 0.929685 0.813996 C\n0.520663 0.804452 0.755842 C\n0.479337 0.304452 0.244158 C\n0.979337 0.304452 0.255842 C\n0.020663 0.804452 0.744158 C\n0.902988 0.859122 0.105412 C\n0.097012 0.359122 0.894588 C\n0.597012 0.359122 0.605412 C\n0.402988 0.859122 0.394588 C\n0.359199 0.066083 0.064137 C\n0.640801 0.566083 0.935863 C\n0.140801 0.566083 0.564137 C\n0.859199 0.066083 0.435863 C\n0.634230 0.923452 0.841508 C\n0.365770 0.423452 0.158492 C\n0.865770 0.423452 0.341508 C\n0.134230 0.923452 0.658492 C\n0.737230 0.873623 0.151142 S\n0.262770 0.373623 0.848858 S\n0.762770 0.373623 0.651142 S\n0.237230 0.873623 0.348858 S\n0.944378 0.921612 0.016263 S\n0.055622 0.421612 0.983737 S\n0.555622 0.421612 0.516263 S\n0.444378 0.921612 0.483737 S\n0.445589 0.990442 0.131960 S\n0.554411 0.490442 0.868040 S\n0.054411 0.490442 0.631960 S\n0.945589 0.990442 0.368040 S\n0.443374 0.096628 0.971272 S\n0.556626 0.596628 0.028728 S\n0.056626 0.596628 0.471272 S\n0.943374 0.096628 0.528728 S\n0.571408 0.865558 0.930908 S\n0.428592 0.365558 0.069092 S\n0.928592 0.365558 0.430908 S\n0.071408 0.865558 0.569092 S\n0.726392 0.023691 0.851645 S\n0.273608 0.523691 0.148355 S\n0.773608 0.523691 0.351645 S\n0.226392 0.023691 0.648355 S\n0.995660 0.799253 0.138846 N\n0.004340 0.299253 0.861154 N\n0.504340 0.299253 0.638846 N\n0.495660 0.799253 0.361154 N\n0.230904 0.098248 0.085059 N\n0.769096 0.598248 0.914941 N\n0.269096 0.598248 0.585059 N\n0.730904 0.098248 0.414941 N\n0.607733 0.886955 0.764394 N\n0.392267 0.386955 0.235606 N\n0.892267 0.386955 0.264394 N\n0.107733 0.886955 0.735606 N\n0.755495 0.145847 0.103221 Cl\n0.244505 0.645847 0.896779 Cl\n0.744505 0.645847 0.603221 Cl\n0.255495 0.145847 0.396779 Cl\n",
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],
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"formula_full": "Te4 H72 C36 S24 N12 Cl4",
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{
"id": "mp-772536",
"created_at": "2022-09-04T14:40:56.222266Z",
"structure_string": "Na10 Li2 Fe4 P4 C4 O28\n1.0\n6.616308 0.000000 0.000000\n0.000000 8.983145 0.000000\n0.000000 0.184552 10.384928\nNa Li Fe P C O\n10 2 4 4 4 28\ndirect\n0.249688 0.083014 0.880921 Na\n0.252252 0.082712 0.379556 Na\n0.000779 0.260805 0.624178 Na\n0.498973 0.260511 0.624431 Na\n0.001699 0.260141 0.124622 Na\n0.501699 0.739859 0.875378 Na\n0.500779 0.739195 0.375822 Na\n0.998973 0.739489 0.375569 Na\n0.752252 0.917288 0.620444 Na\n0.749688 0.916986 0.119079 Na\n0.496212 0.268886 0.123111 Li\n0.996212 0.731114 0.876889 Li\n0.747917 0.355380 0.893530 Fe\n0.749752 0.355432 0.391417 Fe\n0.249752 0.644568 0.608583 Fe\n0.247917 0.644620 0.106470 Fe\n0.246102 0.415768 0.851055 P\n0.252659 0.412022 0.348952 P\n0.752659 0.587978 0.651048 P\n0.746102 0.584232 0.148945 P\n0.754585 0.056524 0.866795 C\n0.747860 0.060559 0.364687 C\n0.247860 0.939441 0.635313 C\n0.254585 0.943476 0.133205 C\n0.249747 0.082626 0.643089 O\n0.266338 0.087397 0.139796 O\n0.748738 0.121317 0.978523 O\n0.750125 0.123317 0.477426 O\n0.747943 0.139444 0.762535 O\n0.744162 0.144845 0.260972 O\n0.059863 0.319049 0.891282 O\n0.434555 0.324445 0.897270 O\n0.062725 0.318391 0.388211 O\n0.438157 0.317985 0.394280 O\n0.251821 0.432650 0.701381 O\n0.749894 0.433629 0.588155 O\n0.260822 0.429164 0.198652 O\n0.736632 0.427413 0.089176 O\n0.236632 0.572587 0.910824 O\n0.760822 0.570836 0.801348 O\n0.249894 0.566371 0.411845 O\n0.751821 0.567350 0.298619 O\n0.562725 0.681609 0.611789 O\n0.938157 0.682015 0.605720 O\n0.559863 0.680951 0.108718 O\n0.934555 0.675555 0.102730 O\n0.244162 0.855155 0.739028 O\n0.247943 0.860556 0.237465 O\n0.250125 0.876683 0.522574 O\n0.248738 0.878683 0.021477 O\n0.766338 0.912603 0.860204 O\n0.749747 0.917374 0.356911 O\n",
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{
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{
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"structure_string": "Li2 V2 Cr2 P4 H4 O20\n1.0\n-0.724402 -2.002116 4.804921\n5.318551 0.009377 -0.052464\n0.482053 12.186392 4.674632\nLi V Cr P H O\n2 2 2 4 4 20\ndirect\n0.128276 0.506581 0.067300 Li\n0.628126 0.006580 0.567247 Li\n0.249162 0.250522 0.753147 V\n0.749420 0.750189 0.253110 V\n0.500670 0.492837 0.499685 Cr\n0.000783 0.992863 0.999433 Cr\n0.561917 0.230039 0.116110 P\n0.061763 0.730067 0.616068 P\n0.945342 0.267777 0.386405 P\n0.445444 0.767939 0.886438 P\n0.178933 0.871201 0.170689 H\n0.678844 0.370998 0.670622 H\n0.324420 0.668829 0.337182 H\n0.824220 0.168668 0.837210 H\n0.504802 0.679283 0.362310 O\n0.004627 0.179553 0.862371 O\n0.523160 0.986076 0.187249 O\n0.022503 0.485677 0.687001 O\n0.943155 0.032381 0.317592 O\n0.442939 0.532602 0.817529 O\n0.327917 0.219733 0.040982 O\n0.827833 0.719926 0.540882 O\n0.820250 0.255131 0.061908 O\n0.320109 0.755135 0.561960 O\n0.692878 0.232900 0.445788 O\n0.193074 0.732882 0.945799 O\n0.176059 0.279566 0.460800 O\n0.676237 0.779584 0.960797 O\n0.556203 0.474266 0.178075 O\n0.056176 0.974165 0.678131 O\n0.970786 0.512677 0.315235 O\n0.470721 0.012848 0.815312 O\n0.009854 0.802972 0.138557 O\n0.509560 0.302965 0.638519 O\n",
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"formula_full": "Li2 V2 Cr2 P4 H4 O20",
"formula_reduced": "LiVCrP2(HO5)2",
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},
{
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"formula_full": "B4 H28 C8 N16 O4 F16",
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"updated_at": "2021-11-28T01:35:09.831000Z",
"spacegroup": 14
},
{
"id": "mp-1233082",
"created_at": "2022-09-04T14:40:52.119072Z",
"structure_string": "K2 Mg1 Zn4 P4 H2 O16\n1.0\n-5.185320 -0.000790 -0.977407\n2.951122 -8.518455 -1.280692\n-0.151873 0.133903 9.627601\nK Mg Zn P H O\n2 1 4 4 2 16\ndirect\n0.393410 0.694165 0.656563 K\n0.606590 0.305835 0.343437 K\n0.500000 0.500000 0.000000 Mg\n0.223929 0.612809 0.220866 Zn\n0.776071 0.387191 0.779134 Zn\n0.681492 0.885564 0.111440 Zn\n0.318508 0.114436 0.888560 Zn\n0.088611 0.761341 0.942165 P\n0.911389 0.238659 0.057835 P\n0.842389 0.751848 0.393828 P\n0.157611 0.248152 0.606172 P\n0.978722 0.932007 0.604359 H\n0.021278 0.067993 0.395641 H\n0.944099 0.399665 0.153756 O\n0.055901 0.600335 0.846244 O\n0.272903 0.781650 0.097840 O\n0.727097 0.218350 0.902160 O\n0.751864 0.109974 0.126477 O\n0.248136 0.890026 0.873523 O\n0.804792 0.771509 0.957272 O\n0.195207 0.228491 0.042728 O\n0.574390 0.611952 0.342634 O\n0.425610 0.388048 0.657366 O\n0.843589 0.888560 0.315246 O\n0.156411 0.111440 0.684754 O\n0.090777 0.697808 0.388206 O\n0.909223 0.302192 0.611794 O\n0.858445 0.818886 0.560345 O\n0.141555 0.181114 0.439655 O\n",
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"formula_full": "K2 Mg1 Zn4 P4 H2 O16",
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},
{
"id": "mp-24764",
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"structure_string": "Al1 H36 C12 S6 Cl3 O6\n1.0\n8.088227 -5.291386 0.000000\n8.088227 5.291386 0.000000\n4.626558 0.000000 8.486056\nAl H C S Cl O\n1 36 12 6 3 6\ndirect\n0.500000 0.500000 0.500000 Al\n0.065056 0.611877 0.801248 H\n0.000799 0.639469 0.440493 H\n0.639469 0.440493 0.000799 H\n0.440493 0.000799 0.639469 H\n0.999201 0.360531 0.559507 H\n0.360531 0.559507 0.999201 H\n0.559507 0.999201 0.360531 H\n0.046161 0.729220 0.228972 H\n0.729220 0.228972 0.046161 H\n0.718999 0.928226 0.040407 H\n0.040407 0.718999 0.928226 H\n0.928226 0.040407 0.718999 H\n0.281001 0.071774 0.959593 H\n0.959593 0.281001 0.071774 H\n0.071774 0.959593 0.281001 H\n0.611877 0.801248 0.065056 H\n0.030459 0.853877 0.489434 H\n0.801248 0.065056 0.611877 H\n0.388123 0.198752 0.934944 H\n0.934944 0.388123 0.198752 H\n0.198752 0.934944 0.388123 H\n0.510566 0.969541 0.146123 H\n0.146123 0.510566 0.969541 H\n0.969541 0.146123 0.510566 H\n0.489434 0.030459 0.853877 H\n0.853877 0.489434 0.030459 H\n0.853470 0.475979 0.693475 H\n0.953839 0.270780 0.771028 H\n0.270780 0.771028 0.953839 H\n0.771028 0.953839 0.270780 H\n0.146530 0.524021 0.306525 H\n0.524021 0.306525 0.146530 H\n0.306525 0.146530 0.524021 H\n0.693475 0.853470 0.475979 H\n0.475979 0.693475 0.853470 H\n0.228972 0.046161 0.729220 H\n0.092594 0.641113 0.327141 C\n0.641113 0.327141 0.092594 C\n0.327141 0.092594 0.641113 C\n0.907406 0.358887 0.672859 C\n0.358887 0.672859 0.907406 C\n0.672859 0.907406 0.358887 C\n0.621155 0.877113 0.118395 C\n0.122887 0.881605 0.378845 C\n0.118395 0.621155 0.877113 C\n0.378845 0.122887 0.881605 C\n0.877113 0.118395 0.621155 C\n0.881605 0.378845 0.122887 C\n0.327089 0.243493 0.703090 S\n0.243493 0.703090 0.327089 S\n0.703090 0.327089 0.243493 S\n0.756507 0.296910 0.672911 S\n0.672911 0.756507 0.296910 S\n0.296910 0.672911 0.756507 S\n0.253601 0.253601 0.253601 Cl\n0.746399 0.746399 0.746399 Cl\n0.000000 0.000000 0.000000 Cl\n0.521585 0.709087 0.412802 O\n0.478415 0.290913 0.587198 O\n0.587198 0.478415 0.290913 O\n0.709087 0.412802 0.521585 O\n0.412802 0.521585 0.709087 O\n0.290913 0.587198 0.478415 O\n",
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"formula_full": "Al1 H36 C12 S6 Cl3 O6",
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"spacegroup": 148
}
]
}