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{
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"structure_string": "Li4 Co4 P8 O28\n1.0\n-6.387363 0.000000 0.000000\n2.712520 8.804120 0.000000\n-0.726419 -4.403685 -9.584305\nLi Co P O\n4 4 8 28\ndirect\n0.013424 0.667381 0.487222 Li\n0.339484 0.528128 0.413356 Li\n0.559333 0.526916 0.982954 Li\n0.934703 0.985395 0.945013 Li\n0.287502 0.125241 0.771017 Co\n0.368548 0.750237 0.744556 Co\n0.634667 0.241366 0.252592 Co\n0.717733 0.882224 0.213734 Co\n0.108773 0.136624 0.297026 P\n0.311080 0.767365 0.038434 P\n0.081948 0.393878 0.788087 P\n0.411849 0.156635 0.532224 P\n0.577454 0.838477 0.459930 P\n0.926967 0.618491 0.196976 P\n0.696677 0.239629 0.951552 P\n0.885584 0.844457 0.701619 P\n0.047458 0.581518 0.338762 O\n0.083956 0.630098 0.086644 O\n0.049339 0.751177 0.706633 O\n0.997973 0.967036 0.290087 O\n0.260679 0.939328 0.964453 O\n0.194444 0.079041 0.458674 O\n0.356433 0.291674 0.558313 O\n0.447121 0.746357 0.178121 O\n0.311604 0.235668 0.212820 O\n0.115642 0.216778 0.842164 O\n0.409962 0.719306 0.947865 O\n0.298336 0.512350 0.816164 O\n0.430875 0.010906 0.680050 O\n0.372607 0.780807 0.540525 O\n0.601965 0.210771 0.443272 O\n0.566713 0.983413 0.311764 O\n0.718595 0.489871 0.181830 O\n0.608924 0.293574 0.042004 O\n0.690489 0.734051 0.792087 O\n0.873191 0.791489 0.129369 O\n0.553563 0.249999 0.817177 O\n0.780084 0.915520 0.542425 O\n0.633045 0.701885 0.435187 O\n0.747180 0.065908 0.026154 O\n0.992180 0.000427 0.729815 O\n0.945680 0.242802 0.266625 O\n0.923226 0.374268 0.900489 O\n0.985946 0.462204 0.642470 O\n",
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"formula_full": "Li4 Co4 P8 O28",
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{
"id": "mp-1246495",
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"structure_string": "Ca1 Mn10 N8\n1.0\n8.312807 -0.360620 1.230478\n1.040409 3.682279 0.000000\n2.527159 -0.714035 7.089651\nCa Mn N\n1 10 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.401164 0.799418 0.818168 Mn\n0.598836 0.200582 0.181832 Mn\n0.077687 0.961157 0.788003 Mn\n0.922313 0.038843 0.211997 Mn\n0.640810 0.679595 0.441429 Mn\n0.359190 0.320405 0.558571 Mn\n0.828683 0.585659 0.997916 Mn\n0.171317 0.414341 0.002084 Mn\n0.365703 0.817149 0.200686 Mn\n0.634297 0.182851 0.799314 Mn\n0.196433 0.901784 0.089657 N\n0.803567 0.098216 0.910343 N\n0.358598 0.820701 0.600572 N\n0.641402 0.179299 0.399428 N\n0.661458 0.669271 0.701150 N\n0.338542 0.330729 0.298850 N\n0.906986 0.546506 0.228842 N\n0.093014 0.453494 0.771158 N\n",
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"elements": [
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"formula_full": "Ca1 Mn10 N8",
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},
{
"id": "mp-1226558",
"created_at": "2022-09-04T14:45:19.691325Z",
"structure_string": "Co4 Re10 B8\n1.0\n3.804127 -3.805850 0.000000\n3.804127 3.805850 0.000000\n0.000000 0.000000 8.097380\nCo Re B\n4 10 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.838240 0.838240 0.000000 Co\n0.161760 0.161760 0.000000 Co\n0.677218 0.677218 0.717200 Re\n0.322782 0.322782 0.717200 Re\n0.826557 0.173443 0.716031 Re\n0.173443 0.826557 0.716031 Re\n0.322782 0.322782 0.282800 Re\n0.677218 0.677218 0.282800 Re\n0.173443 0.826557 0.283969 Re\n0.826557 0.173443 0.283969 Re\n0.664503 0.335497 0.000000 Re\n0.335497 0.664503 0.000000 Re\n0.876907 0.876907 0.500000 B\n0.123093 0.123093 0.500000 B\n0.620545 0.379455 0.500000 B\n0.379455 0.620545 0.500000 B\n0.000000 0.500000 0.863917 B\n0.500000 0.000000 0.863917 B\n0.000000 0.500000 0.136083 B\n0.500000 0.000000 0.136083 B\n",
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"density": 15.469574166402904,
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"formula_full": "Co4 Re10 B8",
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{
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"structure_string": "Ti1 Au1 Cl1\n1.0\n0.000000 3.093289 3.093289\n3.093289 0.000000 3.093289\n3.093289 3.093289 0.000000\nTi Au Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Au\n0.750000 0.750000 0.750000 Cl\n",
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"updated_at": "2021-11-28T01:37:00.632000Z",
"spacegroup": 216
},
{
"id": "mp-1246945",
"created_at": "2022-09-04T14:45:19.756095Z",
"structure_string": "Sr6 Nb4 N8\n1.0\n9.242690 1.945357 1.482209\n-5.132412 6.558604 0.000000\n1.045196 0.817915 6.033232\nSr Nb N\n6 4 8\ndirect\n0.281187 0.990833 0.075760 Sr\n0.718813 0.709646 0.424240 Sr\n0.718813 0.009167 0.924240 Sr\n0.281187 0.290354 0.575760 Sr\n0.000000 0.754644 0.750000 Sr\n0.000000 0.245356 0.250000 Sr\n0.582968 0.182322 0.525345 Nb\n0.417032 0.599355 0.974655 Nb\n0.417032 0.817678 0.474655 Nb\n0.582968 0.400645 0.025345 Nb\n0.329677 0.995565 0.626916 N\n0.670323 0.665888 0.873084 N\n0.670323 0.004435 0.373084 N\n0.329677 0.334112 0.126916 N\n0.603936 0.215545 0.831006 N\n0.396064 0.611609 0.668994 N\n0.396064 0.784455 0.168994 N\n0.603936 0.388391 0.331006 N\n",
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"elements": [
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],
"chemical_system": "N-Nb-Sr",
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"density_atomic": 0.04394695552785147,
"volume": 409.58468644301115,
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"formula_full": "Sr6 Nb4 N8",
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},
{
"id": "mp-1079799",
"created_at": "2022-09-04T14:45:19.880802Z",
"structure_string": "Ba2 Mn2 Bi4\n1.0\n-2.381195 2.381195 11.844194\n2.381195 -2.381195 11.844194\n2.381195 2.381195 -11.844194\nBa Mn Bi\n2 2 4\ndirect\n0.880861 0.880861 0.000000 Ba\n0.119139 0.119139 0.000000 Ba\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.683622 0.683622 0.000000 Bi\n0.316378 0.316378 0.000000 Bi\n",
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"elements": [
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],
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"density": 7.544218585246054,
"density_atomic": 0.029780676536412677,
"volume": 268.63056620686376,
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"formula_full": "Ba2 Mn2 Bi4",
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{
"id": "mp-1222623",
"created_at": "2022-09-04T14:45:19.671662Z",
"structure_string": "Li4 La12 Mn4 O28\n1.0\n0.000387 5.552084 -0.000071\n-5.442673 -2.773990 -10.133842\n-10.885106 -0.000775 0.000073\nLi La Mn O\n4 12 4 28\ndirect\n0.660157 0.812302 0.968843 Li\n0.660176 0.812295 0.468846 Li\n0.339840 0.187672 0.031171 Li\n0.339853 0.187723 0.531142 Li\n0.250504 0.999929 0.375216 La\n0.250452 0.999941 0.875102 La\n0.749508 0.000068 0.624804 La\n0.749547 0.000052 0.124885 La\n0.435473 0.358119 0.195938 La\n0.435402 0.358118 0.695946 La\n0.564505 0.641898 0.804042 La\n0.564592 0.641885 0.304043 La\n0.909326 0.358488 0.945711 La\n0.909356 0.358470 0.445776 La\n0.090678 0.641520 0.054284 La\n0.090645 0.641530 0.554226 La\n0.148586 0.808002 0.721070 Mn\n0.851399 0.192005 0.278932 Mn\n0.148742 0.808026 0.221008 Mn\n0.851260 0.191951 0.778997 Mn\n0.184252 0.990171 0.629692 O\n0.184324 0.990178 0.129651 O\n0.815775 0.009837 0.370298 O\n0.815630 0.009807 0.870362 O\n0.478086 0.581884 0.084080 O\n0.478080 0.581903 0.584074 O\n0.521943 0.418136 0.915910 O\n0.521923 0.418098 0.415936 O\n0.094640 0.601905 0.824083 O\n0.094611 0.601856 0.324071 O\n0.905401 0.398113 0.175914 O\n0.905392 0.398144 0.675921 O\n0.401101 0.825201 0.834705 O\n0.401166 0.825134 0.334722 O\n0.401111 0.825168 0.590196 O\n0.401151 0.825102 0.090194 O\n0.598910 0.174809 0.165281 O\n0.598824 0.174847 0.665294 O\n0.598903 0.174841 0.409812 O\n0.598816 0.174879 0.909812 O\n0.098938 0.214469 0.390758 O\n0.098859 0.214457 0.890784 O\n0.098784 0.214251 0.144771 O\n0.098675 0.214247 0.644811 O\n0.901074 0.785552 0.609226 O\n0.901122 0.785516 0.109232 O\n0.901221 0.785772 0.855221 O\n0.901288 0.785727 0.355205 O\n",
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"formula_full": "Li4 La12 Mn4 O28",
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{
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"structure_string": "Eu2 H4\n1.0\n1.987748 -3.442880 0.000000\n1.987748 3.442880 0.000000\n0.000000 0.000000 5.475758\nEu H\n2 4\ndirect\n0.666667 0.333333 0.750000 Eu\n0.333333 0.666667 0.250000 Eu\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
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{
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"created_at": "2022-09-04T14:45:19.679383Z",
"structure_string": "Mg12 Si12 Sn8 O48\n1.0\n-6.116602 6.116602 6.116602\n6.116602 -6.116602 6.116602\n6.116602 6.116602 -6.116602\nMg Si Sn O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Mg\n0.750000 0.125000 0.375000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.250000 0.875000 0.625000 Mg\n0.125000 0.250000 0.375000 Mg\n0.625000 0.250000 0.875000 Mg\n0.750000 0.625000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.875000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.596948 0.894864 0.369862 O\n0.369862 0.596948 0.894864 O\n0.272914 0.297916 0.903052 O\n0.474999 0.605136 0.202084 O\n0.297916 0.894864 0.025001 O\n0.130138 0.025001 0.227086 O\n0.369862 0.272914 0.474999 O\n0.894864 0.369862 0.596948 O\n0.202084 0.227086 0.596948 O\n0.474999 0.369862 0.272914 O\n0.894864 0.025001 0.297916 O\n0.605136 0.903052 0.130138 O\n0.903052 0.130138 0.605136 O\n0.272914 0.474999 0.369862 O\n0.596948 0.202084 0.227086 O\n0.227086 0.596948 0.202084 O\n0.025001 0.297916 0.894864 O\n0.903052 0.272914 0.297916 O\n0.025001 0.227086 0.130138 O\n0.797916 0.772914 0.403052 O\n0.202084 0.474999 0.605136 O\n0.605136 0.202084 0.474999 O\n0.227086 0.130138 0.025001 O\n0.130138 0.605136 0.903052 O\n0.403052 0.105136 0.630138 O\n0.630138 0.403052 0.105136 O\n0.727086 0.702084 0.096948 O\n0.525001 0.394864 0.797916 O\n0.702084 0.105136 0.974999 O\n0.869862 0.974999 0.772914 O\n0.630138 0.727086 0.525001 O\n0.105136 0.630138 0.403052 O\n0.869862 0.394864 0.096948 O\n0.772914 0.869862 0.974999 O\n0.394864 0.797916 0.525001 O\n0.702084 0.096948 0.727086 O\n0.797916 0.525001 0.394864 O\n0.974999 0.772914 0.869862 O\n0.096948 0.727086 0.702084 O\n0.974999 0.702084 0.105136 O\n0.772914 0.403052 0.797916 O\n0.403052 0.797916 0.772914 O\n0.727086 0.525001 0.630138 O\n0.096948 0.869862 0.394864 O\n0.394864 0.096948 0.869862 O\n0.105136 0.974999 0.702084 O\n0.525001 0.630138 0.727086 O\n0.297916 0.903052 0.272914 O\n",
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{
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{
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{
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"structure_string": "Li2 Cr4 P10 O32\n1.0\n6.716671 0.000000 0.000000\n0.000000 5.004463 0.000000\n0.000000 0.120111 18.703714\nLi Cr P O\n2 4 10 32\ndirect\n0.367201 0.272371 0.525754 Li\n0.632799 0.272371 0.025754 Li\n0.181840 0.255055 0.092225 Cr\n0.180187 0.746660 0.407408 Cr\n0.818160 0.255055 0.592225 Cr\n0.819813 0.746660 0.907408 Cr\n0.873688 0.233253 0.423780 P\n0.465346 0.259782 0.369091 P\n0.253100 0.993756 0.250183 P\n0.467372 0.740700 0.131005 P\n0.126312 0.233253 0.923780 P\n0.534654 0.259782 0.869091 P\n0.746900 0.993756 0.750183 P\n0.875710 0.765997 0.078654 P\n0.124290 0.765997 0.578654 P\n0.532628 0.740700 0.631005 P\n0.927244 0.063084 0.069581 O\n0.380609 0.951680 0.081827 O\n0.363675 0.072780 0.422615 O\n0.774620 0.644597 0.012143 O\n0.229193 0.338026 0.991348 O\n0.055075 0.946263 0.932193 O\n0.636325 0.072780 0.922615 O\n0.974049 0.421097 0.890615 O\n0.571325 0.552398 0.882494 O\n0.303204 0.211900 0.863953 O\n0.865914 0.846784 0.805459 O\n0.590079 0.188470 0.788081 O\n0.602287 0.779308 0.711892 O\n0.857214 0.152447 0.694715 O\n0.299232 0.776100 0.639907 O\n0.962270 0.592557 0.610853 O\n0.562139 0.450486 0.610044 O\n0.619391 0.951680 0.581827 O\n0.072756 0.063084 0.569581 O\n0.037730 0.592557 0.110853 O\n0.770807 0.338026 0.491348 O\n0.944925 0.946263 0.432193 O\n0.225380 0.644597 0.512143 O\n0.025951 0.421097 0.390615 O\n0.428675 0.552398 0.382494 O\n0.696796 0.211900 0.363953 O\n0.134086 0.846784 0.305459 O\n0.409921 0.188470 0.288081 O\n0.397713 0.779308 0.211892 O\n0.142786 0.152447 0.194715 O\n0.700768 0.776100 0.139907 O\n0.437861 0.450486 0.110044 O\n",
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]
}