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{
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{
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{
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"structure_string": "Ca1 P4 Br12 O4\n1.0\n6.857361 -0.522613 0.159871\n-0.811300 10.977359 -0.164207\n0.266435 -0.132408 10.984193\nCa P Br O\n1 4 12 4\ndirect\n0.502224 0.993465 0.779124 Ca\n0.376007 0.311264 0.255451 P\n0.624080 0.673425 0.760883 P\n0.942282 0.234244 0.745940 P\n0.090022 0.809795 0.243083 P\n0.782460 0.653936 0.587091 Br\n0.939744 0.962932 0.195778 Br\n0.242254 0.872311 0.409197 Br\n0.692353 0.187421 0.927260 Br\n0.195660 0.347681 0.420063 Br\n0.799825 0.619396 0.903508 Br\n0.358308 0.538429 0.756335 Br\n0.693893 0.146197 0.591691 Br\n0.114341 0.948749 0.745396 Br\n0.189433 0.341160 0.104114 Br\n0.325122 0.803868 0.098934 Br\n0.616046 0.467550 0.249359 Br\n0.578208 0.800890 0.783266 O\n0.975058 0.369594 0.730770 O\n0.440282 0.189350 0.251376 O\n0.959898 0.690842 0.255278 O\n",
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"spacegroup": 1
},
{
"id": "mp-560068",
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"structure_string": "Na24 N8 O32\n1.0\n8.718547 0.000000 0.000000\n0.000000 9.144270 0.000000\n0.000000 0.000000 9.825449\nNa N O\n24 8 32\ndirect\n0.617440 0.960474 0.854367 Na\n0.202898 0.240918 0.384665 Na\n0.382560 0.539526 0.354367 Na\n0.297102 0.740918 0.615335 Na\n0.297102 0.240918 0.884665 Na\n0.547263 0.876856 0.393353 Na\n0.882560 0.460474 0.145633 Na\n0.452737 0.123144 0.606647 Na\n0.952737 0.376856 0.606647 Na\n0.202898 0.740918 0.115335 Na\n0.702898 0.759082 0.115335 Na\n0.117440 0.039526 0.645633 Na\n0.617440 0.460474 0.645633 Na\n0.797102 0.259082 0.884665 Na\n0.952737 0.876856 0.893353 Na\n0.882560 0.960474 0.354367 Na\n0.117440 0.539526 0.854367 Na\n0.547263 0.376856 0.106647 Na\n0.047263 0.623144 0.393353 Na\n0.797102 0.759082 0.615335 Na\n0.702898 0.259082 0.384665 Na\n0.047263 0.123144 0.106647 Na\n0.452737 0.623144 0.893353 Na\n0.382560 0.039526 0.145633 Na\n0.711696 0.098235 0.119483 N\n0.788304 0.098235 0.619483 N\n0.711696 0.598235 0.380517 N\n0.211696 0.901765 0.380517 N\n0.788304 0.598235 0.880517 N\n0.288304 0.401765 0.619483 N\n0.288304 0.901765 0.880517 N\n0.211696 0.401765 0.119483 N\n0.605540 0.143827 0.021836 O\n0.200949 0.281123 0.661431 O\n0.894460 0.643827 0.978164 O\n0.190680 0.507171 0.563933 O\n0.200949 0.781123 0.838569 O\n0.309320 0.007171 0.436067 O\n0.636168 0.540067 0.267229 O\n0.105540 0.856173 0.478164 O\n0.700949 0.218877 0.661431 O\n0.394460 0.356173 0.521836 O\n0.136168 0.959933 0.267229 O\n0.799051 0.718877 0.338569 O\n0.299051 0.781123 0.338569 O\n0.136168 0.459933 0.232771 O\n0.394460 0.856173 0.978164 O\n0.809320 0.992829 0.063933 O\n0.190680 0.007171 0.936067 O\n0.363832 0.959933 0.767229 O\n0.363832 0.459933 0.732771 O\n0.863832 0.540067 0.767229 O\n0.799051 0.218877 0.161431 O\n0.605540 0.643827 0.478164 O\n0.105540 0.356173 0.021836 O\n0.809320 0.492829 0.436067 O\n0.299051 0.281123 0.161431 O\n0.894460 0.143827 0.521836 O\n0.863832 0.040067 0.732771 O\n0.700949 0.718877 0.838569 O\n0.636168 0.040067 0.232771 O\n0.309320 0.507171 0.063933 O\n0.690680 0.992829 0.563933 O\n0.690680 0.492829 0.936067 O\n",
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"formula_full": "Na24 N8 O32",
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"updated_at": "2021-11-28T01:35:38.445000Z",
"spacegroup": 61
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{
"id": "mp-733457",
"created_at": "2022-09-04T14:42:09.736761Z",
"structure_string": "Cs4 Na8 H60 O36\n1.0\n6.088838 0.000000 0.000000\n0.000000 12.465083 0.000000\n0.000000 0.000000 13.914401\nCs Na H O\n4 8 60 36\ndirect\n0.580226 0.499960 0.099150 Cs\n0.419774 0.999960 0.900850 Cs\n0.580226 0.999960 0.400850 Cs\n0.419774 0.499960 0.599150 Cs\n0.738217 0.177609 0.160058 Na\n0.261783 0.677609 0.839942 Na\n0.738217 0.677609 0.339942 Na\n0.261783 0.177609 0.660058 Na\n0.242274 0.154847 0.141051 Na\n0.757726 0.654847 0.858949 Na\n0.242274 0.654847 0.358949 Na\n0.757726 0.154847 0.641051 Na\n0.121859 0.253237 0.429130 H\n0.878141 0.753237 0.570870 H\n0.121859 0.753237 0.070870 H\n0.878141 0.253237 0.929130 H\n0.122082 0.399563 0.311239 H\n0.877918 0.899563 0.688761 H\n0.122082 0.899563 0.188761 H\n0.877918 0.399563 0.811239 H\n0.179553 0.327221 0.885657 H\n0.820447 0.827221 0.114343 H\n0.179553 0.827221 0.614343 H\n0.820447 0.327221 0.385657 H\n0.921574 0.105461 0.991435 H\n0.078426 0.605461 0.008565 H\n0.921574 0.605461 0.508565 H\n0.078426 0.105461 0.491435 H\n0.941804 0.991775 0.048702 H\n0.058196 0.491775 0.951298 H\n0.941804 0.491775 0.451298 H\n0.058196 0.991775 0.548702 H\n0.060512 0.137843 0.329067 H\n0.939488 0.637843 0.670933 H\n0.060512 0.637843 0.170933 H\n0.939488 0.137843 0.829067 H\n0.055533 0.032980 0.264838 H\n0.944467 0.532980 0.735162 H\n0.055533 0.532980 0.235162 H\n0.944467 0.032980 0.764838 H\n0.072117 0.359754 0.167247 H\n0.927883 0.859754 0.832753 H\n0.072117 0.859754 0.332753 H\n0.927883 0.359754 0.667247 H\n0.047805 0.335928 0.054016 H\n0.952195 0.835928 0.945984 H\n0.047805 0.835928 0.445984 H\n0.952195 0.335928 0.554016 H\n0.589868 0.227830 0.989373 H\n0.410132 0.727830 0.010627 H\n0.589868 0.727830 0.510627 H\n0.410132 0.227830 0.489373 H\n0.366506 0.295181 0.000663 H\n0.633494 0.795181 0.999337 H\n0.366506 0.795181 0.499337 H\n0.633494 0.295181 0.500663 H\n0.416041 0.974473 0.179754 H\n0.583959 0.474473 0.820246 H\n0.416041 0.474473 0.320246 H\n0.583959 0.974473 0.679754 H\n0.631783 0.961574 0.113536 H\n0.368217 0.461574 0.886464 H\n0.631783 0.461574 0.386464 H\n0.368217 0.961574 0.613536 H\n0.382699 0.220222 0.325414 H\n0.617301 0.720222 0.674586 H\n0.382699 0.720222 0.174586 H\n0.617301 0.220222 0.825414 H\n0.387721 0.313648 0.254326 H\n0.612279 0.813648 0.745674 H\n0.387721 0.813648 0.245674 H\n0.612279 0.313648 0.754326 H\n0.212653 0.189666 0.417926 O\n0.787347 0.689666 0.582074 O\n0.212653 0.689666 0.082074 O\n0.787347 0.189666 0.917926 O\n0.209167 0.423213 0.256140 O\n0.790833 0.923213 0.743860 O\n0.209167 0.923213 0.243860 O\n0.790833 0.423213 0.756140 O\n0.181152 0.371647 0.943492 O\n0.818848 0.871647 0.056508 O\n0.181152 0.871647 0.556508 O\n0.818848 0.371647 0.443492 O\n0.007776 0.065064 0.041473 O\n0.992224 0.565064 0.958527 O\n0.007776 0.565064 0.458527 O\n0.992224 0.065064 0.541473 O\n0.979758 0.104265 0.273485 O\n0.020242 0.604265 0.726515 O\n0.979758 0.604265 0.226515 O\n0.020242 0.104265 0.773485 O\n0.990395 0.315138 0.118427 O\n0.009605 0.815138 0.881573 O\n0.990395 0.815138 0.381573 O\n0.009605 0.315138 0.618427 O\n0.473779 0.249377 0.037723 O\n0.526221 0.749377 0.962277 O\n0.473779 0.749377 0.462277 O\n0.526221 0.249377 0.537723 O\n0.530845 0.015836 0.142746 O\n0.469155 0.515836 0.857254 O\n0.530845 0.515836 0.357254 O\n0.469155 0.015836 0.642746 O\n0.462160 0.242986 0.265234 O\n0.537840 0.742986 0.734766 O\n0.462160 0.742986 0.234766 O\n0.537840 0.242986 0.765234 O\n",
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{
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"structure_string": "Sr1 Ca1 Bi1 Sb1 O6\n1.0\n0.000000 -4.262830 -4.262830\n4.262830 0.000000 -4.262830\n4.262830 -4.262830 0.000000\nSr Ca Bi Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n0.733921 0.266079 0.266079 O\n0.266079 0.733921 0.733921 O\n0.733921 0.266079 0.733921 O\n0.266079 0.733921 0.266079 O\n0.733921 0.733921 0.266079 O\n0.266079 0.266079 0.733921 O\n",
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{
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"structure_string": "K8 Cd8 S12 O48\n1.0\n10.481179 0.000000 0.000000\n0.000000 10.481179 0.000000\n0.000000 0.000000 10.481179\nK Cd S O\n8 8 12 48\ndirect\n0.688365 0.188365 0.311635 K\n0.311635 0.688365 0.188365 K\n0.945855 0.554145 0.445855 K\n0.811635 0.811635 0.811635 K\n0.054145 0.054145 0.054145 K\n0.445855 0.945855 0.554145 K\n0.554145 0.445855 0.945855 K\n0.188365 0.311635 0.688365 K\n0.326724 0.326724 0.326724 Cd\n0.173276 0.673276 0.826724 Cd\n0.826724 0.173276 0.673276 Cd\n0.673276 0.826724 0.173276 Cd\n0.417627 0.082373 0.917627 Cd\n0.082373 0.917627 0.417627 Cd\n0.582373 0.582373 0.582373 Cd\n0.917627 0.417627 0.082373 Cd\n0.269497 0.624932 0.510416 S\n0.769497 0.875068 0.489584 S\n0.730503 0.124932 0.989584 S\n0.875068 0.489584 0.769497 S\n0.989584 0.730503 0.124932 S\n0.489584 0.769497 0.875068 S\n0.624932 0.510416 0.269497 S\n0.510416 0.269497 0.624932 S\n0.124932 0.989584 0.730503 S\n0.230503 0.375068 0.010416 S\n0.010416 0.230503 0.375068 S\n0.375068 0.010416 0.230503 S\n0.583325 0.763442 0.981087 O\n0.083325 0.736558 0.018913 O\n0.416675 0.263442 0.518913 O\n0.736558 0.018913 0.083325 O\n0.518913 0.416675 0.263442 O\n0.018913 0.083325 0.736558 O\n0.763442 0.981087 0.583325 O\n0.981087 0.583325 0.763442 O\n0.263442 0.518913 0.416675 O\n0.236558 0.481087 0.916675 O\n0.481087 0.916675 0.236558 O\n0.916675 0.236558 0.481087 O\n0.074584 0.859775 0.761717 O\n0.574584 0.640225 0.238283 O\n0.925416 0.359775 0.738283 O\n0.640225 0.238283 0.574584 O\n0.738283 0.925416 0.359775 O\n0.238283 0.574584 0.640225 O\n0.674455 0.778031 0.528945 O\n0.859775 0.761717 0.074584 O\n0.359775 0.738283 0.925416 O\n0.140225 0.261717 0.425416 O\n0.261717 0.425416 0.140225 O\n0.425416 0.140225 0.261717 O\n0.221969 0.028945 0.825545 O\n0.721969 0.471055 0.174455 O\n0.778031 0.528945 0.674455 O\n0.471055 0.174455 0.721969 O\n0.099855 0.316663 0.010293 O\n0.010293 0.099855 0.316663 O\n0.316663 0.010293 0.099855 O\n0.183337 0.989707 0.599855 O\n0.510293 0.400145 0.683337 O\n0.683337 0.510293 0.400145 O\n0.489707 0.900145 0.816663 O\n0.989707 0.599855 0.183337 O\n0.816663 0.489707 0.900145 O\n0.599855 0.183337 0.989707 O\n0.900145 0.816663 0.489707 O\n0.400145 0.683337 0.510293 O\n0.278031 0.971055 0.325545 O\n0.325545 0.278031 0.971055 O\n0.971055 0.325545 0.278031 O\n0.528945 0.674455 0.778031 O\n0.825545 0.221969 0.028945 O\n0.028945 0.825545 0.221969 O\n0.174455 0.721969 0.471055 O\n0.761717 0.074584 0.859775 O\n",
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