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{
"id": "mp-570873",
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"structure_string": "Nb2 Te8 I12\n1.0\n8.324704 0.000000 0.000000\n-1.687431 11.403159 0.000000\n-3.690181 -5.113513 10.616294\nNb Te I\n2 8 12\ndirect\n0.487214 0.353650 0.458618 Nb\n0.512786 0.646350 0.541382 Nb\n0.583303 0.837261 0.800826 Te\n0.718580 0.522921 0.415538 Te\n0.281420 0.477079 0.584462 Te\n0.524856 0.218114 0.623219 Te\n0.785177 0.556682 0.655620 Te\n0.475144 0.781886 0.376781 Te\n0.416697 0.162739 0.199174 Te\n0.214823 0.443318 0.344380 Te\n0.793382 0.896447 0.639266 I\n0.159314 0.650119 0.158454 I\n0.206618 0.103553 0.360734 I\n0.668620 0.232464 0.108036 I\n0.703141 0.743384 0.247553 I\n0.296859 0.256616 0.752447 I\n0.862388 0.803525 0.972665 I\n0.840686 0.349881 0.841546 I\n0.271302 0.814366 0.562006 I\n0.137612 0.196475 0.027335 I\n0.331380 0.767536 0.891964 I\n0.728698 0.185634 0.437994 I\n",
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{
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"nsites": 20,
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"elements": [
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"formula_full": "N8 O12",
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{
"id": "mp-1204001",
"created_at": "2022-09-04T14:41:22.501982Z",
"structure_string": "Sr36 Al24\n1.0\n13.013852 0.000000 0.000000\n0.000000 13.013852 0.000000\n0.000000 0.000000 13.013852\nSr Al\n36 24\ndirect\n0.060175 0.560175 0.939825 Sr\n0.560175 0.939825 0.060175 Sr\n0.939825 0.060175 0.560175 Sr\n0.439825 0.439825 0.439825 Sr\n0.679763 0.179763 0.320237 Sr\n0.179763 0.320237 0.679763 Sr\n0.320237 0.679763 0.179763 Sr\n0.820237 0.820237 0.820237 Sr\n0.325316 0.825316 0.674684 Sr\n0.825316 0.674684 0.325316 Sr\n0.674684 0.325316 0.825316 Sr\n0.174684 0.174684 0.174684 Sr\n0.482130 0.225126 0.060423 Sr\n0.939577 0.982130 0.274874 Sr\n0.725126 0.439577 0.517870 Sr\n0.982130 0.274874 0.939577 Sr\n0.439577 0.517870 0.725126 Sr\n0.225126 0.060423 0.482130 Sr\n0.517870 0.725126 0.439577 Sr\n0.060423 0.482130 0.225126 Sr\n0.274874 0.939577 0.982130 Sr\n0.017870 0.774874 0.560423 Sr\n0.560423 0.017870 0.774874 Sr\n0.774874 0.560423 0.017870 Sr\n0.566516 0.474451 0.197728 Sr\n0.802272 0.066516 0.025549 Sr\n0.974451 0.302272 0.433484 Sr\n0.066516 0.025549 0.802272 Sr\n0.302272 0.433484 0.974451 Sr\n0.474451 0.197728 0.566516 Sr\n0.433484 0.974451 0.302272 Sr\n0.197728 0.566516 0.474451 Sr\n0.025549 0.802272 0.066516 Sr\n0.933484 0.525549 0.697728 Sr\n0.697728 0.933484 0.525549 Sr\n0.525549 0.697728 0.933484 Sr\n0.907621 0.265851 0.691541 Al\n0.308459 0.407621 0.234149 Al\n0.765851 0.808459 0.092379 Al\n0.407621 0.234149 0.308459 Al\n0.808459 0.092379 0.765851 Al\n0.265851 0.691541 0.907621 Al\n0.092379 0.765851 0.808459 Al\n0.691541 0.907621 0.265851 Al\n0.234149 0.308459 0.407621 Al\n0.592379 0.734149 0.191541 Al\n0.191541 0.592379 0.734149 Al\n0.734149 0.191541 0.592379 Al\n0.912660 0.245009 0.190093 Al\n0.809907 0.412660 0.254991 Al\n0.745009 0.309907 0.087340 Al\n0.412660 0.254991 0.809907 Al\n0.309907 0.087340 0.745009 Al\n0.245009 0.190093 0.912660 Al\n0.087340 0.745009 0.309907 Al\n0.190093 0.912660 0.245009 Al\n0.254991 0.809907 0.412660 Al\n0.587340 0.754991 0.690093 Al\n0.690093 0.587340 0.754991 Al\n0.754991 0.690093 0.587340 Al\n",
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"elements": [
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"formula_full": "Sr36 Al24",
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"updated_at": "2021-11-28T01:35:12.263000Z",
"spacegroup": 198
},
{
"id": "mp-18232",
"created_at": "2022-09-04T14:41:22.503918Z",
"structure_string": "Ce4 Al6 Ge8\n1.0\n3.013342 -7.522455 0.000000\n3.013342 7.522455 0.000000\n0.000000 0.000000 7.936846\nCe Al Ge\n4 6 8\ndirect\n0.386244 0.613756 0.918340 Ce\n0.613756 0.386244 0.081660 Ce\n0.886244 0.113756 0.581660 Ce\n0.113756 0.886244 0.418340 Ce\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.034863 0.465137 0.250000 Al\n0.465137 0.034863 0.750000 Al\n0.534863 0.965137 0.250000 Al\n0.965137 0.534863 0.750000 Al\n0.315801 0.684199 0.550718 Ge\n0.684199 0.315801 0.449282 Ge\n0.815801 0.184199 0.949282 Ge\n0.703545 0.796455 0.250000 Ge\n0.203545 0.296455 0.250000 Ge\n0.296455 0.203545 0.750000 Ge\n0.796455 0.703545 0.750000 Ge\n0.184199 0.815801 0.050718 Ge\n",
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"formula_full": "Ce4 Al6 Ge8",
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{
"id": "mp-1019716",
"created_at": "2022-09-04T14:41:28.140213Z",
"structure_string": "Cs4 Li16 B20 O40\n1.0\n9.497220 0.000000 0.000000\n0.000000 7.020040 0.000000\n0.000000 2.281521 16.129681\nCs Li B O\n4 16 20 40\ndirect\n0.202498 0.594758 0.868022 Cs\n0.702498 0.405242 0.631978 Cs\n0.797502 0.405242 0.131978 Cs\n0.297502 0.594758 0.368022 Cs\n0.722527 0.961163 0.819824 Li\n0.222527 0.038837 0.680176 Li\n0.277473 0.038837 0.180176 Li\n0.777473 0.961163 0.319824 Li\n0.144559 0.048791 0.031670 Li\n0.644559 0.951209 0.468330 Li\n0.855441 0.951209 0.968330 Li\n0.355441 0.048791 0.531670 Li\n0.419896 0.002412 0.927394 Li\n0.919896 0.997588 0.572606 Li\n0.580104 0.997588 0.072606 Li\n0.080104 0.002412 0.427394 Li\n0.592577 0.723053 0.943899 Li\n0.092577 0.276947 0.556101 Li\n0.407423 0.276947 0.056101 Li\n0.907423 0.723053 0.443899 Li\n0.801125 0.570388 0.894661 B\n0.301125 0.429612 0.605339 B\n0.198875 0.429612 0.105339 B\n0.698875 0.570388 0.394661 B\n0.374197 0.747849 0.644128 B\n0.874197 0.252151 0.855872 B\n0.625803 0.252151 0.355872 B\n0.125803 0.747849 0.144128 B\n0.114594 0.091561 0.873786 B\n0.614594 0.908439 0.626214 B\n0.885406 0.908439 0.126214 B\n0.385406 0.091561 0.373786 B\n0.355636 0.718917 0.065286 B\n0.855636 0.281083 0.434714 B\n0.644364 0.281083 0.934714 B\n0.144364 0.718917 0.565286 B\n0.499105 0.856858 0.765414 B\n0.999105 0.143142 0.734586 B\n0.500895 0.143142 0.234586 B\n0.000895 0.856858 0.265414 B\n0.814200 0.758361 0.899470 O\n0.314200 0.241639 0.600530 O\n0.185800 0.241639 0.100530 O\n0.685800 0.758361 0.399470 O\n0.221132 0.027706 0.922908 O\n0.721132 0.972294 0.577092 O\n0.778868 0.972294 0.077092 O\n0.278868 0.027706 0.422908 O\n0.375581 0.806600 0.727984 O\n0.875581 0.193400 0.772016 O\n0.624419 0.193400 0.272016 O\n0.124419 0.806600 0.227984 O\n0.316367 0.525063 0.061299 O\n0.816367 0.474937 0.438701 O\n0.683633 0.474937 0.938701 O\n0.183633 0.525063 0.561299 O\n0.473722 0.792136 0.029712 O\n0.973722 0.207864 0.470288 O\n0.526278 0.207864 0.970288 O\n0.026278 0.792136 0.529712 O\n0.260656 0.824760 0.106539 O\n0.760656 0.175240 0.393461 O\n0.739344 0.175240 0.893461 O\n0.239344 0.824760 0.606539 O\n0.887436 0.461668 0.851278 O\n0.387436 0.538332 0.648722 O\n0.112564 0.538332 0.148722 O\n0.612564 0.461668 0.351278 O\n0.989663 0.154450 0.907836 O\n0.489663 0.845550 0.592164 O\n0.010337 0.845550 0.092164 O\n0.510337 0.154450 0.407836 O\n0.619806 0.900749 0.713777 O\n0.119806 0.099251 0.786223 O\n0.380194 0.099251 0.286223 O\n0.880194 0.900749 0.213777 O\n0.513456 0.868187 0.845962 O\n0.013456 0.131813 0.654038 O\n0.486544 0.131813 0.154038 O\n0.986544 0.868187 0.345962 O\n",
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"volume": 1075.3797729726361,
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"formula_full": "Cs4 Li16 B20 O40",
"formula_reduced": "CsLi4(BO2)5",
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{
"id": "mp-560010",
"created_at": "2022-09-04T14:41:27.955764Z",
"structure_string": "Rb8 Ga8 B8 O28\n1.0\n7.867209 0.000000 0.000000\n0.000000 8.927484 0.000000\n0.000000 3.037732 11.782341\nRb Ga B O\n8 8 8 28\ndirect\n0.372110 0.466951 0.126966 Rb\n0.374511 0.946704 0.651363 Rb\n0.625489 0.053296 0.348637 Rb\n0.874511 0.053296 0.848637 Rb\n0.872110 0.533049 0.373034 Rb\n0.127890 0.466951 0.626966 Rb\n0.125489 0.946704 0.151363 Rb\n0.627890 0.533049 0.873034 Rb\n0.568973 0.314669 0.633360 Ga\n0.121520 0.154393 0.385662 Ga\n0.621520 0.845607 0.114338 Ga\n0.378480 0.154393 0.885662 Ga\n0.068973 0.685331 0.866640 Ga\n0.878480 0.845607 0.614338 Ga\n0.931027 0.314669 0.133360 Ga\n0.431027 0.685331 0.366640 Ga\n0.092167 0.345465 0.912977 B\n0.629388 0.184876 0.060826 B\n0.407833 0.345465 0.412977 B\n0.370612 0.815124 0.939174 B\n0.870612 0.184876 0.560826 B\n0.907833 0.654535 0.087023 B\n0.592167 0.654535 0.587023 B\n0.129388 0.815124 0.439174 B\n0.991072 0.516187 0.134120 O\n0.806926 0.716073 0.158422 O\n0.008928 0.483813 0.865880 O\n0.214153 0.955080 0.418630 O\n0.027732 0.212795 0.509207 O\n0.534238 0.176265 0.770721 O\n0.491072 0.483813 0.365880 O\n0.527732 0.787205 0.990793 O\n0.201479 0.690853 0.405733 O\n0.508928 0.516187 0.634120 O\n0.714153 0.044920 0.081370 O\n0.798521 0.309147 0.594267 O\n0.193074 0.283927 0.841578 O\n0.965762 0.176265 0.270721 O\n0.306926 0.283927 0.341578 O\n0.472268 0.212795 0.009207 O\n0.432282 0.260657 0.523429 O\n0.298521 0.690853 0.905733 O\n0.972268 0.787205 0.490793 O\n0.693074 0.716073 0.658422 O\n0.567718 0.739343 0.476571 O\n0.465762 0.823735 0.229279 O\n0.285847 0.955080 0.918630 O\n0.067718 0.260657 0.023429 O\n0.701479 0.309147 0.094267 O\n0.785847 0.044920 0.581370 O\n0.932282 0.739343 0.976571 O\n0.034238 0.823735 0.729279 O\n",
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{
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{
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{
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"structure_string": "Rb8 Cd8 S12 O48\n1.0\n10.647682 0.000000 0.000000\n0.000000 10.568803 0.000000\n0.000000 0.214387 11.004424\nRb Cd S O\n8 8 12 48\ndirect\n0.592179 0.939347 0.323749 Rb\n0.855798 0.288453 0.472300 Rb\n0.092179 0.060653 0.676251 Rb\n0.715739 0.560918 0.834022 Rb\n0.445289 0.194227 0.974091 Rb\n0.945289 0.805773 0.025909 Rb\n0.355798 0.711547 0.527700 Rb\n0.215739 0.439082 0.165978 Rb\n0.800152 0.180913 0.088751 Cd\n0.004334 0.678248 0.432940 Cd\n0.063172 0.412230 0.817005 Cd\n0.563172 0.587770 0.182995 Cd\n0.247124 0.095187 0.303320 Cd\n0.747124 0.904813 0.696680 Cd\n0.300152 0.819087 0.911249 Cd\n0.504334 0.321752 0.567060 Cd\n0.873552 0.477279 0.165419 S\n0.684775 0.622746 0.486168 S\n0.614309 0.875866 0.990053 S\n0.766720 0.244137 0.786308 S\n0.266720 0.755863 0.213692 S\n0.933755 0.962602 0.345558 S\n0.433755 0.037398 0.654442 S\n0.539160 0.281751 0.269898 S\n0.114309 0.124134 0.009947 S\n0.373552 0.522721 0.834581 S\n0.039160 0.718249 0.730102 S\n0.184775 0.377254 0.513832 S\n0.668111 0.733797 0.564291 O\n0.633585 0.772400 0.081954 O\n0.891950 0.296636 0.748446 O\n0.269148 0.894421 0.219481 O\n0.359906 0.943963 0.723203 O\n0.156243 0.171723 0.131257 O\n0.078817 0.762468 0.599358 O\n0.610959 0.189727 0.188430 O\n0.753800 0.519855 0.106665 O\n0.853352 0.918396 0.462812 O\n0.234814 0.716903 0.086622 O\n0.363833 0.656384 0.783982 O\n0.607662 0.516316 0.535790 O\n0.133585 0.227600 0.918046 O\n0.769148 0.105579 0.780519 O\n0.171658 0.696220 0.297014 O\n0.978387 0.086771 0.016609 O\n0.961871 0.433945 0.045475 O\n0.168111 0.266203 0.435709 O\n0.965243 0.531948 0.946568 O\n0.478387 0.913229 0.983391 O\n0.863833 0.343616 0.216018 O\n0.553963 0.989999 0.611620 O\n0.937902 0.836964 0.287896 O\n0.253800 0.480145 0.893335 O\n0.734814 0.283097 0.913378 O\n0.845704 0.017931 0.555499 O\n0.671658 0.303780 0.702986 O\n0.345704 0.982069 0.444501 O\n0.900695 0.754412 0.746563 O\n0.320139 0.419696 0.517999 O\n0.656243 0.828277 0.868743 O\n0.353352 0.081604 0.537188 O\n0.859906 0.056037 0.276797 O\n0.391950 0.703364 0.251554 O\n0.578817 0.237532 0.400642 O\n0.400695 0.245588 0.253437 O\n0.107662 0.483684 0.464210 O\n0.189752 0.013543 0.974190 O\n0.053963 0.010001 0.388380 O\n0.142648 0.341876 0.639889 O\n0.820139 0.580304 0.482001 O\n0.437902 0.163036 0.712104 O\n0.689752 0.986457 0.025810 O\n0.110959 0.810273 0.811570 O\n0.642648 0.658124 0.360111 O\n0.465243 0.468052 0.053432 O\n0.461871 0.566055 0.954525 O\n",
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}