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{
"id": "mp-1025493",
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{
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{
"id": "mp-1200920",
"created_at": "2022-09-04T14:48:00.401253Z",
"structure_string": "Ca6 C12 N12 O12\n1.0\n5.262374 -5.792874 0.000000\n5.262374 5.792874 0.000000\n-1.114480 0.000000 7.746476\nCa C N O\n6 12 12 12\ndirect\n0.751256 0.037076 0.386112 Ca\n0.386112 0.751256 0.037076 Ca\n0.037076 0.386112 0.751256 Ca\n0.886112 0.537076 0.251256 Ca\n0.251256 0.886112 0.537076 Ca\n0.537076 0.251256 0.886112 Ca\n0.553503 0.595634 0.378665 C\n0.378665 0.553503 0.595634 C\n0.595634 0.378665 0.553503 C\n0.878665 0.095634 0.053503 C\n0.053503 0.878665 0.095634 C\n0.095634 0.053503 0.878665 C\n0.855490 0.767160 0.627392 C\n0.627392 0.855490 0.767160 C\n0.767160 0.627392 0.855490 C\n0.127392 0.267160 0.355490 C\n0.355490 0.127392 0.267160 C\n0.267160 0.355490 0.127392 C\n0.418750 0.643027 0.461593 N\n0.461593 0.418750 0.643027 N\n0.643027 0.461593 0.418750 N\n0.961593 0.143027 0.918750 N\n0.918750 0.961593 0.143027 N\n0.143027 0.918750 0.961593 N\n0.733144 0.877898 0.642507 N\n0.642507 0.733144 0.877898 N\n0.877898 0.642507 0.733144 N\n0.142507 0.377898 0.233144 N\n0.233144 0.142507 0.377898 N\n0.377898 0.233144 0.142507 N\n0.607215 0.682154 0.256609 O\n0.256609 0.607215 0.682154 O\n0.682154 0.256609 0.607215 O\n0.756609 0.182154 0.107215 O\n0.107215 0.756609 0.182154 O\n0.182154 0.107215 0.756609 O\n0.949352 0.782370 0.499980 O\n0.499980 0.949352 0.782370 O\n0.782370 0.499980 0.949352 O\n0.999980 0.282370 0.449352 O\n0.449352 0.999980 0.282370 O\n0.282370 0.449352 0.999980 O\n",
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"formula_full": "Ca6 C12 N12 O12",
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"updated_at": "2021-11-28T01:38:24.266000Z",
"spacegroup": 161
},
{
"id": "mp-865529",
"created_at": "2022-09-04T14:48:00.417625Z",
"structure_string": "Ti2 Ni1 Ir1\n1.0\n0.000000 3.063491 3.063491\n3.063491 0.000000 3.063491\n3.063491 3.063491 0.000000\nTi Ni Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
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"formula_full": "Ti2 Ni1 Ir1",
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"spacegroup": 225
},
{
"id": "mp-683928",
"created_at": "2022-09-04T14:48:00.578929Z",
"structure_string": "K10 Ce2 Cu4 N24 O48\n1.0\n10.672009 0.000000 0.000000\n0.000000 10.672009 0.000000\n0.000000 0.000000 10.672009\nK Ce Cu N O\n10 2 4 24 48\ndirect\n0.250000 0.250000 0.750000 K\n0.250000 0.750000 0.250000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.750000 0.250000 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.250000 Cu\n0.250000 0.750000 0.750000 Cu\n0.750000 0.250000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.254146 0.253234 0.446891 N\n0.553109 0.745854 0.253234 N\n0.446891 0.745854 0.746766 N\n0.253234 0.553109 0.745854 N\n0.745854 0.746766 0.446891 N\n0.753234 0.053109 0.754146 N\n0.053109 0.754146 0.753234 N\n0.553109 0.254146 0.746766 N\n0.253234 0.446891 0.254146 N\n0.754146 0.246766 0.946891 N\n0.746766 0.553109 0.254146 N\n0.245854 0.246766 0.053109 N\n0.254146 0.746766 0.553109 N\n0.753234 0.946891 0.245854 N\n0.446891 0.254146 0.253234 N\n0.246766 0.946891 0.754146 N\n0.246766 0.053109 0.245854 N\n0.946891 0.754146 0.246766 N\n0.746766 0.446891 0.745854 N\n0.745854 0.253234 0.553109 N\n0.245854 0.753234 0.946891 N\n0.754146 0.753234 0.053109 N\n0.946891 0.245854 0.753234 N\n0.053109 0.245854 0.246766 N\n0.253523 0.008016 0.654480 O\n0.753523 0.508016 0.845520 O\n0.154480 0.753523 0.491984 O\n0.991984 0.345520 0.253523 O\n0.654480 0.253523 0.008016 O\n0.005918 0.855577 0.226044 O\n0.144423 0.226044 0.994082 O\n0.726044 0.494082 0.355577 O\n0.345520 0.746477 0.008016 O\n0.773956 0.005918 0.144423 O\n0.845520 0.753523 0.508016 O\n0.144423 0.773956 0.005918 O\n0.491984 0.154480 0.753523 O\n0.644423 0.726044 0.505918 O\n0.773956 0.994082 0.855577 O\n0.654480 0.746477 0.991984 O\n0.644423 0.273956 0.494082 O\n0.008016 0.654480 0.253523 O\n0.845520 0.246477 0.491984 O\n0.855577 0.773956 0.994082 O\n0.273956 0.494082 0.644423 O\n0.008016 0.345520 0.746477 O\n0.005918 0.144423 0.773956 O\n0.491984 0.845520 0.246477 O\n0.753523 0.491984 0.154480 O\n0.994082 0.144423 0.226044 O\n0.154480 0.246477 0.508016 O\n0.746477 0.008016 0.345520 O\n0.345520 0.253523 0.991984 O\n0.273956 0.505918 0.355577 O\n0.494082 0.355577 0.726044 O\n0.355577 0.726044 0.494082 O\n0.991984 0.654480 0.746477 O\n0.505918 0.644423 0.726044 O\n0.508016 0.845520 0.753523 O\n0.253523 0.991984 0.345520 O\n0.494082 0.644423 0.273956 O\n0.508016 0.154480 0.246477 O\n0.746477 0.991984 0.654480 O\n0.246477 0.491984 0.845520 O\n0.855577 0.226044 0.005918 O\n0.994082 0.855577 0.773956 O\n0.226044 0.994082 0.144423 O\n0.355577 0.273956 0.505918 O\n0.246477 0.508016 0.154480 O\n0.726044 0.505918 0.644423 O\n0.505918 0.355577 0.273956 O\n0.226044 0.005918 0.855577 O\n",
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{
"id": "mp-774283",
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"structure_string": "Re8 H24 Pb4 C4 N8 O40\n1.0\n7.837640 0.000000 0.000000\n0.000000 10.796280 0.000000\n0.000000 2.832604 14.145490\nRe H Pb C N O\n8 24 4 4 8 40\ndirect\n0.251687 0.983178 0.591816 Re\n0.248313 0.983178 0.091816 Re\n0.389588 0.503776 0.734953 Re\n0.110412 0.503776 0.234953 Re\n0.889588 0.496224 0.765047 Re\n0.610412 0.496224 0.265047 Re\n0.751687 0.016822 0.908184 Re\n0.748313 0.016822 0.408184 Re\n0.109068 0.836223 0.770225 H\n0.614833 0.857714 0.671631 H\n0.392953 0.802270 0.816270 H\n0.810937 0.853481 0.647766 H\n0.953333 0.739797 0.829944 H\n0.444677 0.696411 0.919828 H\n0.390932 0.836223 0.270225 H\n0.885167 0.857714 0.171631 H\n0.107047 0.802270 0.316270 H\n0.689063 0.853481 0.147766 H\n0.546667 0.739797 0.329944 H\n0.055323 0.696411 0.419828 H\n0.944677 0.303589 0.580172 H\n0.453333 0.260203 0.670056 H\n0.310937 0.146519 0.852234 H\n0.892953 0.197730 0.683730 H\n0.114833 0.142286 0.828369 H\n0.609068 0.163777 0.729775 H\n0.555323 0.303589 0.080172 H\n0.046667 0.260203 0.170056 H\n0.189063 0.146519 0.352234 H\n0.607047 0.197730 0.183730 H\n0.385167 0.142286 0.328369 H\n0.890932 0.163777 0.229775 H\n0.660347 0.642422 0.538358 Pb\n0.839653 0.642422 0.038358 Pb\n0.160347 0.357578 0.961642 Pb\n0.339653 0.357578 0.461642 Pb\n0.189166 0.709875 0.889580 C\n0.310834 0.709875 0.389580 C\n0.689166 0.290125 0.610420 C\n0.810834 0.290125 0.110420 C\n0.073954 0.774381 0.829475 N\n0.354881 0.740537 0.875204 N\n0.426046 0.774381 0.329475 N\n0.145119 0.740537 0.375204 N\n0.854881 0.259463 0.624796 N\n0.573954 0.225619 0.670525 N\n0.645119 0.259463 0.124796 N\n0.926046 0.225619 0.170525 N\n0.387418 0.945635 0.690448 O\n0.048538 0.919620 0.622459 O\n0.732488 0.850182 0.942492 O\n0.335555 0.919810 0.500140 O\n0.112582 0.945635 0.190448 O\n0.708108 0.800641 0.662180 O\n0.451462 0.919620 0.122459 O\n0.767512 0.850182 0.442492 O\n0.164445 0.919810 0.000140 O\n0.791892 0.800641 0.162180 O\n0.140837 0.622937 0.959292 O\n0.338727 0.661188 0.690829 O\n0.798786 0.592660 0.837334 O\n0.908149 0.551484 0.640713 O\n0.359163 0.622937 0.459292 O\n0.161273 0.661188 0.190829 O\n0.609440 0.502944 0.703353 O\n0.701214 0.592660 0.337334 O\n0.109440 0.497056 0.796647 O\n0.591851 0.551484 0.140713 O\n0.408149 0.448516 0.859287 O\n0.890560 0.502944 0.203353 O\n0.298786 0.407340 0.662666 O\n0.390560 0.497056 0.296647 O\n0.838727 0.338812 0.809171 O\n0.640837 0.377063 0.540708 O\n0.091851 0.448516 0.359287 O\n0.201214 0.407340 0.162666 O\n0.661273 0.338812 0.309171 O\n0.859163 0.377063 0.040708 O\n0.208108 0.199359 0.837820 O\n0.835555 0.080190 0.999860 O\n0.232488 0.149818 0.557508 O\n0.548538 0.080380 0.877541 O\n0.291892 0.199359 0.337820 O\n0.887418 0.054365 0.809552 O\n0.664445 0.080190 0.499860 O\n0.267512 0.149818 0.057508 O\n0.951462 0.080380 0.377541 O\n0.612582 0.054365 0.309552 O\n",
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{
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