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{
"id": "mp-557349",
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"structure_string": "Mn6 Nb4 Zn2 O18\n1.0\n2.683183 -4.647409 0.000000\n2.683183 4.647409 0.000000\n0.000000 0.000000 14.534276\nMn Nb Zn O\n6 4 2 18\ndirect\n0.666667 0.333333 0.697589 Mn\n0.666667 0.333333 0.981307 Mn\n0.666667 0.333333 0.481307 Mn\n0.333333 0.666667 0.513474 Mn\n0.333333 0.666667 0.013474 Mn\n0.666667 0.333333 0.197589 Mn\n0.000000 0.000000 0.857907 Nb\n0.000000 0.000000 0.141135 Nb\n0.000000 0.000000 0.641135 Nb\n0.000000 0.000000 0.357907 Nb\n0.333333 0.666667 0.794346 Zn\n0.333333 0.666667 0.294346 Zn\n0.336431 0.309391 0.084916 O\n0.663722 0.689590 0.913900 O\n0.010108 0.286636 0.249697 O\n0.276528 0.989892 0.249697 O\n0.972960 0.663569 0.084916 O\n0.690609 0.663569 0.584916 O\n0.713364 0.989892 0.749697 O\n0.025868 0.336278 0.913900 O\n0.025868 0.689590 0.413900 O\n0.336431 0.027040 0.584916 O\n0.276528 0.286636 0.749697 O\n0.972960 0.309391 0.584916 O\n0.713364 0.723472 0.249697 O\n0.310410 0.974132 0.913900 O\n0.690609 0.027040 0.084916 O\n0.663722 0.974132 0.413900 O\n0.310410 0.336278 0.413900 O\n0.010108 0.723472 0.749697 O\n",
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{
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"structure_string": "Co2 B20 H38 C22\n1.0\n-7.241588 0.000000 0.000000\n1.839795 9.048548 0.000000\n-0.393973 -3.003256 -11.834132\nCo B H C\n2 20 38 22\ndirect\n0.739841 0.062287 0.770586 Co\n0.260159 0.937713 0.229414 Co\n0.981695 0.970109 0.693616 B\n0.018305 0.029891 0.306384 B\n0.754233 0.880102 0.859568 B\n0.245767 0.119898 0.140432 B\n0.914767 0.773727 0.742009 B\n0.085233 0.226273 0.257991 B\n0.542801 0.853119 0.776284 B\n0.457199 0.146881 0.223716 B\n0.658570 0.699145 0.768403 B\n0.341430 0.300855 0.231597 B\n0.912587 0.792092 0.590733 B\n0.087413 0.207908 0.409267 B\n0.571539 0.898980 0.640335 B\n0.428461 0.101020 0.359665 B\n0.752152 0.649864 0.634016 B\n0.247848 0.350136 0.365984 B\n0.679239 0.758303 0.546864 B\n0.320761 0.241697 0.453136 B\n0.526319 0.705726 0.652376 B\n0.473681 0.294274 0.347624 B\n0.050782 0.019235 0.878556 H\n0.949218 0.980765 0.121444 H\n0.127045 0.043086 0.670993 H\n0.872955 0.956914 0.329007 H\n0.742388 0.888535 0.959230 H\n0.257612 0.111465 0.040770 H\n0.036857 0.719225 0.769542 H\n0.963143 0.280775 0.230458 H\n0.831442 0.005570 0.539942 H\n0.168558 0.994430 0.460058 H\n0.404126 0.869268 0.830960 H\n0.595874 0.130732 0.169040 H\n0.611394 0.604817 0.821530 H\n0.388606 0.395183 0.178470 H\n0.034949 0.771943 0.524020 H\n0.965051 0.228057 0.475980 H\n0.456732 0.947502 0.599327 H\n0.543268 0.052498 0.400673 H\n0.774311 0.521736 0.597684 H\n0.225689 0.478264 0.402316 H\n0.639957 0.719713 0.448497 H\n0.360043 0.280287 0.551503 H\n0.378564 0.621021 0.624263 H\n0.621436 0.378979 0.375737 H\n0.624119 0.250671 0.646422 H\n0.375881 0.749329 0.353578 H\n0.393776 0.150426 0.800426 H\n0.606224 0.849574 0.199574 H\n0.601251 0.172608 0.986386 H\n0.398749 0.827392 0.013614 H\n0.007665 0.294865 0.044449 H\n0.992335 0.705135 0.955551 H\n0.305810 0.411680 0.968803 H\n0.694190 0.588320 0.031197 H\n0.317176 0.467004 0.779297 H\n0.682824 0.532996 0.220703 H\n0.031908 0.397707 0.656119 H\n0.968092 0.602293 0.343881 H\n0.937665 0.962789 0.816567 C\n0.062335 0.037211 0.183433 C\n0.797319 0.935934 0.600954 C\n0.202681 0.064066 0.399046 C\n0.853500 0.304240 0.779969 C\n0.146500 0.695760 0.220031 C\n0.666997 0.247837 0.730198 C\n0.333003 0.752163 0.269802 C\n0.544072 0.195192 0.812348 C\n0.455928 0.804808 0.187652 C\n0.654538 0.205220 0.909922 C\n0.345462 0.794780 0.090078 C\n0.846053 0.276757 0.892055 C\n0.153947 0.723243 0.107945 C\n0.012261 0.314726 0.959884 C\n0.987739 0.685274 0.040116 C\n0.176922 0.380353 0.917082 C\n0.823078 0.619647 0.082918 C\n0.183922 0.411181 0.808146 C\n0.816078 0.588819 0.191854 C\n0.026006 0.373393 0.739208 C\n0.973994 0.626607 0.260792 C\n",
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"volume": 775.4416365857999,
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{
"id": "mp-18766",
"created_at": "2022-09-04T14:42:21.084470Z",
"structure_string": "Si2 Ni4 O8\n1.0\n0.000000 4.057429 4.057429\n4.057429 0.000000 4.057429\n4.057429 4.057429 0.000000\nSi Ni O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n0.368878 0.893365 0.368878 O\n0.881122 0.881122 0.356635 O\n0.881122 0.881122 0.881122 O\n0.356635 0.881122 0.881122 O\n0.368878 0.368878 0.368878 O\n0.893365 0.368878 0.368878 O\n0.881122 0.356635 0.881122 O\n0.368878 0.368878 0.893365 O\n",
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{
"id": "mp-28668",
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"structure_string": "B36 H44 N16\n1.0\n6.162275 0.000000 0.000000\n0.000000 8.550396 0.000000\n0.000000 1.751071 19.699588\nB H N\n36 44 16\ndirect\n0.759177 0.087922 0.192539 B\n0.259177 0.912078 0.307461 B\n0.240823 0.912078 0.807461 B\n0.740823 0.087922 0.692539 B\n0.696199 0.970127 0.127228 B\n0.196199 0.029873 0.372772 B\n0.303801 0.029873 0.872772 B\n0.803801 0.970127 0.627228 B\n0.745343 0.087823 0.051548 B\n0.245343 0.912177 0.448452 B\n0.254657 0.912177 0.948452 B\n0.754657 0.087823 0.551548 B\n0.608655 0.287970 0.049923 B\n0.108655 0.712030 0.450077 B\n0.391345 0.712030 0.950077 B\n0.891345 0.287970 0.549923 B\n0.622376 0.291157 0.181784 B\n0.122376 0.708843 0.318216 B\n0.377624 0.708843 0.818216 B\n0.877624 0.291157 0.681784 B\n0.929733 0.081016 0.121199 B\n0.429733 0.918984 0.378801 B\n0.070267 0.918984 0.878801 B\n0.570267 0.081016 0.621199 B\n0.884926 0.260801 0.067838 B\n0.384926 0.739199 0.432162 B\n0.115074 0.739199 0.932162 B\n0.615074 0.260801 0.567838 B\n0.745860 0.403673 0.108231 B\n0.245860 0.596327 0.391769 B\n0.254140 0.596327 0.891769 B\n0.754140 0.403673 0.608231 B\n0.894068 0.261435 0.160039 B\n0.394068 0.738565 0.339961 B\n0.105932 0.738565 0.839961 B\n0.605932 0.261435 0.660039 B\n0.786671 0.033304 0.249460 H\n0.286671 0.966696 0.250540 H\n0.213329 0.966696 0.750540 H\n0.713329 0.033304 0.749460 H\n0.659231 0.833015 0.133248 H\n0.159231 0.166985 0.366752 H\n0.340769 0.166985 0.866752 H\n0.840769 0.833015 0.633248 H\n0.769655 0.029518 0.999583 H\n0.269655 0.970482 0.500417 H\n0.230345 0.970482 0.000417 H\n0.730345 0.029518 0.499583 H\n0.524242 0.337427 0.998281 H\n0.024242 0.662573 0.501719 H\n0.475758 0.662573 0.001719 H\n0.975758 0.337427 0.498281 H\n0.368754 0.389882 0.114786 H\n0.868754 0.610118 0.385214 H\n0.631246 0.610118 0.885214 H\n0.131246 0.389882 0.614786 H\n0.102434 0.017532 0.122454 H\n0.602434 0.982468 0.377546 H\n0.897566 0.982468 0.877546 H\n0.397566 0.017532 0.622454 H\n0.024219 0.299808 0.027782 H\n0.524219 0.700192 0.472218 H\n0.975781 0.700192 0.972218 H\n0.475781 0.299808 0.527782 H\n0.767303 0.542189 0.103445 H\n0.267303 0.457811 0.396555 H\n0.232697 0.457811 0.896555 H\n0.732697 0.542189 0.603445 H\n0.037375 0.301773 0.195407 H\n0.537375 0.698227 0.304593 H\n0.962625 0.698227 0.804593 H\n0.462625 0.301773 0.695407 H\n0.560373 0.038984 0.077182 H\n0.060373 0.961016 0.422818 H\n0.439627 0.961016 0.922818 H\n0.939627 0.038984 0.577182 H\n0.569674 0.037931 0.174300 H\n0.069674 0.962069 0.325700 H\n0.430326 0.962069 0.825700 H\n0.930326 0.037931 0.674300 H\n0.702076 0.362913 0.348743 N\n0.202076 0.637087 0.151257 N\n0.297924 0.637087 0.651257 N\n0.797924 0.362913 0.848743 N\n0.627291 0.354685 0.295948 N\n0.127291 0.645315 0.204052 N\n0.372709 0.645315 0.704052 N\n0.872709 0.354685 0.795948 N\n0.529907 0.352706 0.242179 N\n0.029907 0.647294 0.257821 N\n0.470093 0.647294 0.757821 N\n0.970093 0.352706 0.742179 N\n0.504936 0.320891 0.116153 N\n0.004936 0.679109 0.383847 N\n0.495064 0.679109 0.883847 N\n0.995064 0.320891 0.616153 N\n",
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{
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{
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"structure_string": "Cr6 As2 N2\n1.0\n-2.669817 2.669817 3.958421\n2.669817 -2.669817 3.958421\n2.669817 2.669817 -3.958421\nCr As N\n6 2 2\ndirect\n0.316080 0.816080 0.132161 Cr\n0.750000 0.750000 0.000000 Cr\n0.250000 0.250000 0.000000 Cr\n0.683920 0.183920 0.867839 Cr\n0.183920 0.316080 0.500000 Cr\n0.816080 0.683920 0.500000 Cr\n0.250000 0.750000 0.500000 As\n0.750000 0.250000 0.500000 As\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n",
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{
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{
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