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{
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{
"id": "mp-1222921",
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"structure_string": "La1 Al1 Cu4\n1.0\n2.666866 -4.619147 0.000000\n2.666866 4.619147 0.000000\n0.000000 0.000000 4.021300\nLa Al Cu\n1 1 4\ndirect\n0.333333 0.666667 0.000000 La\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.000000 Cu\n0.832237 0.167763 0.500000 Cu\n0.832237 0.664475 0.500000 Cu\n0.335525 0.167763 0.500000 Cu\n",
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{
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"structure_string": "Li8 Mn6 O14\n1.0\n5.284523 0.000000 0.000000\n-0.982612 7.607788 0.000000\n-2.117103 -3.727907 6.478889\nLi Mn O\n8 6 14\ndirect\n0.449824 0.795797 0.940970 Li\n0.856339 0.068232 0.340365 Li\n0.297108 0.356263 0.793844 Li\n0.702892 0.643737 0.206156 Li\n0.143661 0.931768 0.659635 Li\n0.550176 0.204203 0.059030 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.848288 0.575315 0.859010 Mn\n0.151712 0.424685 0.140990 Mn\n0.277429 0.859269 0.279338 Mn\n0.722571 0.140731 0.720662 Mn\n0.578777 0.716185 0.577153 Mn\n0.421223 0.283815 0.422847 Mn\n0.943738 0.736724 0.737026 O\n0.438667 0.045205 0.199108 O\n0.804064 0.317861 0.603585 O\n0.283379 0.613782 0.048820 O\n0.721399 0.892259 0.488860 O\n0.143764 0.193428 0.902330 O\n0.580542 0.468211 0.343241 O\n0.856236 0.806572 0.097670 O\n0.278601 0.107741 0.511140 O\n0.716621 0.386218 0.951180 O\n0.195936 0.682139 0.396415 O\n0.561333 0.954795 0.800892 O\n0.056262 0.263276 0.262974 O\n0.419458 0.531789 0.656759 O\n",
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{
"id": "mp-27187",
"created_at": "2022-09-04T14:46:07.220566Z",
"structure_string": "Be4 Tl2 F10\n1.0\n2.357516 4.092954 0.000000\n-2.357516 4.092954 0.000000\n0.000000 0.283269 12.802065\nBe Tl F\n4 2 10\ndirect\n0.692410 0.643217 0.295285 Be\n0.356783 0.307590 0.204715 Be\n0.307590 0.356783 0.704715 Be\n0.643217 0.692410 0.795285 Be\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.423042 0.576958 0.250000 F\n0.961625 0.651690 0.738455 F\n0.651690 0.961625 0.238455 F\n0.038375 0.348310 0.261545 F\n0.348310 0.038375 0.761545 F\n0.676492 0.665139 0.913149 F\n0.334861 0.323508 0.586851 F\n0.323508 0.334861 0.086851 F\n0.665139 0.676492 0.413149 F\n0.576958 0.423042 0.750000 F\n",
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{
"id": "mp-1371146",
"created_at": "2022-09-04T14:46:07.220435Z",
"structure_string": "La8 Cu3 O16\n1.0\n7.107274 0.000000 0.000000\n-2.015918 7.266035 0.000000\n-0.993169 -4.179098 7.243532\nLa Cu O\n8 3 16\ndirect\n0.269817 0.163221 0.323324 La\n0.723698 0.852605 0.672650 La\n0.274818 0.646859 0.329692 La\n0.279333 0.405309 0.810999 La\n0.277805 0.922906 0.813855 La\n0.728348 0.337073 0.678521 La\n0.721169 0.095553 0.189951 La\n0.722213 0.578281 0.185739 La\n0.001009 0.750016 0.500015 Cu\n0.000959 0.499361 0.999913 Cu\n0.996377 0.998941 0.997456 Cu\n0.994363 0.874705 0.248117 O\n0.632231 0.705206 0.410818 O\n0.001085 0.378670 0.244886 O\n0.003903 0.993670 0.501034 O\n0.624231 0.201386 0.399921 O\n0.637162 0.449741 0.907455 O\n0.632826 0.953405 0.897734 O\n0.373392 0.298433 0.594053 O\n0.999831 0.122868 0.754930 O\n0.995938 0.507066 0.499012 O\n0.997172 0.748472 0.000612 O\n0.997818 0.248118 0.000828 O\n0.365455 0.793740 0.583150 O\n0.366928 0.539341 0.091041 O\n0.364838 0.044358 0.083097 O\n0.006038 0.626970 0.751026 O\n",
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"formula_full": "La8 Cu3 O16",
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{
"id": "mp-757455",
"created_at": "2022-09-04T14:46:07.222213Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n0.831185 5.598116 -0.072710\n-1.626386 -1.196456 5.965030\n9.212239 -0.154006 0.213963\nLi Fe P O\n4 4 4 16\ndirect\n0.344121 0.369310 0.109896 Li\n0.654782 0.634881 0.888572 Li\n0.887676 0.462636 0.251002 Li\n0.110051 0.532004 0.748406 Li\n0.337200 0.072133 0.801599 Fe\n0.771763 0.829642 0.585582 Fe\n0.671539 0.923772 0.200829 Fe\n0.233800 0.173208 0.413987 Fe\n0.188560 0.821690 0.075047 P\n0.809629 0.179959 0.925257 P\n0.303988 0.691259 0.447202 P\n0.696715 0.308257 0.553163 P\n0.390263 0.687686 0.074181 O\n0.612978 0.319433 0.926280 O\n0.935046 0.708950 0.138507 O\n0.065917 0.286939 0.862876 O\n0.828052 0.165421 0.089621 O\n0.163791 0.830685 0.910038 O\n0.278941 0.060604 0.171215 O\n0.710846 0.943511 0.826518 O\n0.119893 0.839859 0.447557 O\n0.884460 0.163068 0.552180 O\n0.565796 0.796187 0.384501 O\n0.437350 0.202135 0.617705 O\n0.206252 0.460184 0.344398 O\n0.793778 0.541114 0.654082 O\n0.656039 0.317920 0.392543 O\n0.340776 0.677551 0.607256 O\n",
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{
"id": "mp-1042253",
"created_at": "2022-09-04T14:46:07.223686Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n1.620805 6.669091 0.000000\n-1.620805 6.669091 0.000000\n0.000000 5.149658 9.447210\nMg Sn O\n2 4 8\ndirect\n0.696923 0.696923 0.761069 Mg\n0.303077 0.303077 0.238931 Mg\n0.361712 0.361712 0.875134 Sn\n0.900429 0.900429 0.416082 Sn\n0.099571 0.099571 0.583918 Sn\n0.638288 0.638288 0.124866 Sn\n0.152760 0.152760 0.234457 O\n0.535613 0.535613 0.768421 O\n0.464387 0.464387 0.231579 O\n0.847240 0.847240 0.765543 O\n0.828740 0.828740 0.028635 O\n0.230748 0.230748 0.637378 O\n0.171260 0.171260 0.971365 O\n0.769252 0.769252 0.362622 O\n",
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{
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"structure_string": "Na2 Nb2 S12\n1.0\n6.496278 3.785455 0.000000\n-6.496278 3.785455 0.000000\n0.000000 0.883303 7.236830\nNa Nb S\n2 2 12\ndirect\n0.668421 0.330762 0.999563 Na\n0.330762 0.668421 0.499563 Na\n0.990837 0.017767 0.740934 Nb\n0.017767 0.990837 0.240934 Nb\n0.962656 0.236117 0.476854 S\n0.236117 0.962656 0.976854 S\n0.303039 0.359035 0.795496 S\n0.359035 0.303039 0.295496 S\n0.048253 0.264797 0.984390 S\n0.264797 0.048253 0.484390 S\n0.703209 0.088254 0.667205 S\n0.088254 0.703209 0.167205 S\n0.947099 0.668800 0.708596 S\n0.668800 0.947099 0.208596 S\n0.781108 0.727326 0.524342 S\n0.727326 0.781108 0.024342 S\n",
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{
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"structure_string": "Ba4 V8 Zn4 O28\n1.0\n15.416643 0.000000 0.000000\n0.000000 5.667171 0.000000\n0.000000 4.793939 7.557135\nBa V Zn O\n4 8 4 28\ndirect\n0.784718 0.430057 0.354627 Ba\n0.715282 0.430057 0.854627 Ba\n0.215282 0.569943 0.645373 Ba\n0.284718 0.569943 0.145373 Ba\n0.866194 0.918648 0.833099 V\n0.633806 0.918648 0.333099 V\n0.133806 0.081352 0.166901 V\n0.366194 0.081352 0.666901 V\n0.062017 0.916912 0.787309 V\n0.437983 0.916912 0.287309 V\n0.937983 0.083088 0.212691 V\n0.562017 0.083088 0.712691 V\n0.550772 0.577476 0.131127 Zn\n0.949228 0.577476 0.631127 Zn\n0.449228 0.422524 0.868873 Zn\n0.050772 0.422524 0.368873 Zn\n0.783086 0.768057 0.977621 O\n0.716914 0.768057 0.477621 O\n0.216914 0.231943 0.022379 O\n0.283086 0.231943 0.522379 O\n0.971650 0.814401 0.941170 O\n0.528350 0.814401 0.441170 O\n0.028350 0.185599 0.058830 O\n0.471650 0.185599 0.558830 O\n0.160192 0.845950 0.883546 O\n0.339808 0.845950 0.383546 O\n0.839808 0.154050 0.116454 O\n0.660192 0.154050 0.616454 O\n0.051977 0.740295 0.679187 O\n0.448023 0.740295 0.179187 O\n0.948023 0.259705 0.320813 O\n0.551977 0.259705 0.820813 O\n0.053877 0.279953 0.630697 O\n0.446123 0.279953 0.130697 O\n0.946123 0.720047 0.369303 O\n0.553877 0.720047 0.869303 O\n0.856584 0.284702 0.710341 O\n0.643416 0.284702 0.210341 O\n0.143416 0.715298 0.289659 O\n0.356584 0.715298 0.789659 O\n0.861815 0.801241 0.691232 O\n0.638185 0.801241 0.191232 O\n0.138185 0.198759 0.308768 O\n0.361815 0.198759 0.808768 O\n",
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{
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"structure_string": "Tb10 Si6 C2\n1.0\n4.245840 -7.354011 0.000000\n4.245840 7.354011 0.000000\n0.000000 0.000000 6.477868\nTb Si C\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.776482 0.776482 0.750000 Tb\n0.223518 0.000000 0.750000 Tb\n0.000000 0.223518 0.750000 Tb\n0.223518 0.223518 0.250000 Tb\n0.776482 0.000000 0.250000 Tb\n0.000000 0.776482 0.250000 Tb\n0.410139 0.410139 0.750000 Si\n0.589861 0.000000 0.750000 Si\n0.000000 0.589861 0.750000 Si\n0.589861 0.589861 0.250000 Si\n0.410139 0.000000 0.250000 Si\n0.000000 0.410139 0.250000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:46:07.252348Z",
"structure_string": "Li4 Rh4 O8\n1.0\n0.000000 4.304832 4.304832\n4.304832 0.000000 4.304832\n4.304832 4.304832 0.000000\nLi Rh O\n4 4 8\ndirect\n0.125000 0.125000 0.625000 Li\n0.125000 0.125000 0.125000 Li\n0.625000 0.125000 0.125000 Li\n0.125000 0.625000 0.125000 Li\n0.625000 0.625000 0.625000 Rh\n0.125000 0.625000 0.625000 Rh\n0.625000 0.625000 0.125000 Rh\n0.625000 0.125000 0.625000 Rh\n0.397776 0.867408 0.867408 O\n0.382592 0.852224 0.382592 O\n0.867408 0.867408 0.867408 O\n0.867408 0.867408 0.397776 O\n0.867408 0.397776 0.867408 O\n0.382592 0.382592 0.852224 O\n0.852224 0.382592 0.382592 O\n0.382592 0.382592 0.382592 O\n",
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},
{
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"structure_string": "Cd2 In4 Se2 S6\n1.0\n-3.939239 3.967668 5.590438\n3.939239 -3.967668 5.590438\n3.939239 3.967668 -5.590438\nCd In Se S\n2 4 2 6\ndirect\n0.616429 0.116429 0.500000 Cd\n0.876548 0.876548 0.000000 Cd\n0.253259 0.503517 0.749742 In\n0.753775 0.503517 0.250258 In\n0.250125 0.506227 0.256102 In\n0.250125 0.994023 0.743898 In\n0.492214 0.258655 0.233560 Se\n0.025095 0.258655 0.766440 Se\n0.489812 0.261178 0.771366 S\n0.489812 0.718447 0.228634 S\n0.009705 0.740728 0.268977 S\n0.471751 0.740728 0.731023 S\n0.010674 0.739766 0.729092 S\n0.010674 0.281582 0.270908 S\n",
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],
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"density": 4.9145731800765535,
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"formula_full": "Cd2 In4 Se2 S6",
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},
{
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"structure_string": "Sr4 C16 S16 O16\n1.0\n-8.023944 0.000000 0.000000\n0.000000 0.000000 -11.148495\n0.000000 -11.318724 0.000000\nSr C S O\n4 16 16 16\ndirect\n0.675400 0.262747 0.750000 Sr\n0.175400 0.237253 0.750000 Sr\n0.324600 0.737253 0.250000 Sr\n0.824600 0.762747 0.250000 Sr\n0.956750 0.597848 0.812811 C\n0.456751 0.902152 0.687189 C\n0.043250 0.402152 0.312811 C\n0.543250 0.097848 0.187189 C\n0.043250 0.402152 0.187189 C\n0.543250 0.097848 0.312811 C\n0.956750 0.597848 0.687189 C\n0.456751 0.902152 0.812811 C\n0.938082 0.728880 0.815130 C\n0.438082 0.771120 0.684870 C\n0.061918 0.271120 0.315130 C\n0.561918 0.228880 0.184870 C\n0.061918 0.271120 0.184870 C\n0.561918 0.228880 0.315130 C\n0.938082 0.728880 0.684870 C\n0.438082 0.771120 0.815130 C\n0.958536 0.469577 0.897185 S\n0.458536 0.030423 0.602815 S\n0.041464 0.530423 0.397185 S\n0.541464 0.969577 0.102815 S\n0.041464 0.530423 0.102815 S\n0.541464 0.969577 0.397185 S\n0.958536 0.469577 0.602815 S\n0.458536 0.030423 0.897185 S\n0.907345 0.834790 0.915230 S\n0.407345 0.665210 0.584770 S\n0.092655 0.165210 0.415230 S\n0.592655 0.334790 0.084770 S\n0.092655 0.165210 0.084770 S\n0.592655 0.334790 0.415230 S\n0.907345 0.834790 0.584770 S\n0.407345 0.665210 0.915230 S\n0.414031 0.388851 0.750000 O\n0.914031 0.111149 0.750000 O\n0.585969 0.611149 0.250000 O\n0.085969 0.888851 0.250000 O\n0.940656 0.391234 0.750000 O\n0.440656 0.108766 0.750000 O\n0.059344 0.608766 0.250000 O\n0.559344 0.891234 0.250000 O\n0.104892 0.224693 0.964320 O\n0.604892 0.275307 0.535680 O\n0.895108 0.775307 0.464320 O\n0.395108 0.724693 0.035680 O\n0.895108 0.775307 0.035680 O\n0.395108 0.724693 0.464320 O\n0.104892 0.224693 0.535680 O\n0.604892 0.275307 0.964320 O\n",
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"elements": [
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],
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"density_atomic": 0.05135724768202857,
"volume": 1012.5153186158057,
"volume_molar": 11.725980327616595,
"formula_full": "Sr4 C16 S16 O16",
"formula_reduced": "SrC4(SO)4",
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"updated_at": "2021-11-28T01:37:26.605000Z",
"spacegroup": 62
}
]
}