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{
"id": "mp-697111",
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{
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"structure_string": "Li12 V4 B8 O24\n1.0\n8.764634 0.000000 0.000000\n0.000000 5.971310 0.000000\n0.000000 5.898274 8.608265\nLi V B O\n12 4 8 24\ndirect\n0.241542 0.837144 0.152961 Li\n0.770407 0.627256 0.396933 Li\n0.417391 0.881522 0.401993 Li\n0.917391 0.118478 0.098007 Li\n0.270407 0.372744 0.103067 Li\n0.741542 0.162856 0.347039 Li\n0.258458 0.837144 0.652961 Li\n0.729593 0.627256 0.896933 Li\n0.082609 0.881522 0.901993 Li\n0.582609 0.118478 0.598007 Li\n0.229593 0.372744 0.603067 Li\n0.758458 0.162856 0.847039 Li\n0.401062 0.292422 0.868977 V\n0.901062 0.707578 0.631023 V\n0.098938 0.292422 0.368977 V\n0.598938 0.707578 0.131023 V\n0.106297 0.854707 0.364021 B\n0.565161 0.613377 0.636501 B\n0.065161 0.386623 0.863499 B\n0.606297 0.145293 0.135979 B\n0.393703 0.854707 0.864021 B\n0.934839 0.613377 0.136501 B\n0.434839 0.386623 0.363499 B\n0.893703 0.145293 0.635979 B\n0.140309 0.624504 0.373117 O\n0.466873 0.072715 0.103178 O\n0.718044 0.949425 0.183641 O\n0.411998 0.574039 0.617335 O\n0.155308 0.200348 0.986134 O\n0.612269 0.454496 0.791181 O\n0.112269 0.545504 0.708819 O\n0.655308 0.799652 0.513866 O\n0.218044 0.050575 0.316359 O\n0.911998 0.425961 0.882665 O\n0.966873 0.927285 0.396822 O\n0.640309 0.375496 0.126883 O\n0.359691 0.624504 0.873117 O\n0.033127 0.072715 0.603178 O\n0.088002 0.574039 0.117335 O\n0.781956 0.949425 0.683641 O\n0.344692 0.200348 0.486134 O\n0.887731 0.454496 0.291181 O\n0.387731 0.545504 0.208819 O\n0.844692 0.799652 0.013866 O\n0.588002 0.425961 0.382665 O\n0.281956 0.050575 0.816359 O\n0.533127 0.927285 0.896822 O\n0.859691 0.375496 0.626883 O\n",
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"formula_full": "Li12 V4 B8 O24",
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{
"id": "mp-1020587",
"created_at": "2022-09-04T14:39:09.366210Z",
"structure_string": "Sr8 Mg24 Si8 N32\n1.0\n-5.816198 5.816198 6.807923\n5.816198 -5.816198 6.807923\n5.816198 5.816198 -6.807923\nSr Mg Si N\n8 24 8 32\ndirect\n0.562455 0.044699 0.998248 Sr\n0.046451 0.564207 0.001752 Sr\n0.314207 0.812455 0.017756 Sr\n0.794699 0.296451 0.982244 Sr\n0.187545 0.205301 0.501752 Sr\n0.703549 0.685793 0.498248 Sr\n0.435793 0.437545 0.482244 Sr\n0.955301 0.953549 0.517756 Sr\n0.838621 0.159035 0.371926 Mg\n0.787109 0.466695 0.628074 Mg\n0.216695 0.088621 0.179586 Mg\n0.909035 0.037109 0.820414 Mg\n0.911379 0.090965 0.128074 Mg\n0.962891 0.783305 0.871926 Mg\n0.533305 0.161379 0.320414 Mg\n0.840965 0.212891 0.679586 Mg\n0.587568 0.951505 0.648231 Mg\n0.303274 0.939338 0.351769 Mg\n0.689338 0.837568 0.136064 Mg\n0.701505 0.553274 0.863936 Mg\n0.162432 0.298495 0.851769 Mg\n0.446726 0.310662 0.148231 Mg\n0.060662 0.412432 0.363936 Mg\n0.048495 0.696726 0.636064 Mg\n0.292540 0.974310 0.637121 Mg\n0.337189 0.655420 0.362879 Mg\n0.405420 0.542540 0.818231 Mg\n0.724310 0.587189 0.181769 Mg\n0.457460 0.275690 0.862879 Mg\n0.412811 0.594580 0.137121 Mg\n0.344580 0.707460 0.681769 Mg\n0.025690 0.662811 0.318231 Mg\n0.755500 0.397349 0.288705 Si\n0.108645 0.466796 0.711295 Si\n0.216796 0.005500 0.858151 Si\n0.147349 0.358645 0.141849 Si\n0.994500 0.852651 0.211295 Si\n0.641355 0.783204 0.788705 Si\n0.533204 0.244500 0.641849 Si\n0.602651 0.891355 0.358151 Si\n0.615287 0.359773 0.096126 N\n0.263646 0.519161 0.903874 N\n0.269161 0.865287 0.755515 N\n0.109773 0.513646 0.244485 N\n0.134713 0.890227 0.403874 N\n0.486354 0.730839 0.596126 N\n0.480839 0.384713 0.744485 N\n0.640227 0.736354 0.255515 N\n0.752072 0.978251 0.880960 N\n0.097292 0.871112 0.119040 N\n0.621112 0.002072 0.273820 N\n0.728251 0.347292 0.726180 N\n0.997928 0.271749 0.619040 N\n0.652708 0.378888 0.380960 N\n0.128888 0.247928 0.226180 N\n0.021749 0.902708 0.773820 N\n0.833700 0.264423 0.243490 N\n0.020933 0.590210 0.756510 N\n0.340210 0.083700 0.069277 N\n0.014423 0.270933 0.930723 N\n0.916300 0.985577 0.256510 N\n0.729067 0.659790 0.743490 N\n0.409790 0.166300 0.430723 N\n0.735577 0.979067 0.569277 N\n0.503683 0.113377 0.701799 N\n0.411579 0.801884 0.298201 N\n0.551884 0.753683 0.890306 N\n0.863377 0.661579 0.109694 N\n0.246317 0.136622 0.798201 N\n0.338421 0.448116 0.201799 N\n0.198116 0.496317 0.609694 N\n0.886622 0.588421 0.390306 N\n",
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"density_atomic": 0.07815909185043676,
"volume": 921.1980115861294,
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"formula_full": "Sr8 Mg24 Si8 N32",
"formula_reduced": "SrMg3SiN4",
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},
{
"id": "mp-1206353",
"created_at": "2022-09-04T14:39:09.367208Z",
"structure_string": "Zn2 Ga1 Ag1 Se4\n1.0\n-2.942301 2.942301 5.709244\n2.942301 -2.942301 5.709244\n2.942301 2.942301 -5.709244\nZn Ga Ag Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ag\n0.893003 0.364854 0.000000 Se\n0.364854 0.893003 0.000000 Se\n0.635146 0.635146 0.528149 Se\n0.106997 0.106997 0.471851 Se\n",
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{
"id": "mp-1244898",
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"structure_string": "Al40 O60\n1.0\n10.151732 -0.081002 -0.074243\n-0.098921 10.429334 0.383136\n-0.079037 0.369234 9.943336\nAl O\n40 60\ndirect\n0.593262 0.125274 0.968741 Al\n0.911499 0.937619 0.545094 Al\n0.431561 0.317847 0.168337 Al\n0.160826 0.387529 0.465963 Al\n0.857208 0.956984 0.242694 Al\n0.346917 0.706868 0.094850 Al\n0.170287 0.085485 0.575111 Al\n0.219695 0.435748 0.759458 Al\n0.272047 0.129022 0.836593 Al\n0.441164 0.401385 0.891480 Al\n0.500899 0.576175 0.623833 Al\n0.179100 0.848768 0.823052 Al\n0.644635 0.870749 0.591992 Al\n0.934564 0.903061 0.799962 Al\n0.574799 0.073966 0.382843 Al\n0.767454 0.668356 0.732355 Al\n0.916950 0.262026 0.099119 Al\n0.774384 0.688341 0.403003 Al\n0.269085 0.140832 0.316440 Al\n0.399529 0.010896 0.120354 Al\n0.997830 0.173747 0.825693 Al\n0.430367 0.783500 0.785180 Al\n0.596018 0.828926 0.146852 Al\n0.094489 0.708458 0.250257 Al\n0.087738 0.030763 0.085774 Al\n0.497665 0.073513 0.670233 Al\n0.945098 0.450692 0.851018 Al\n0.552159 0.565703 0.222085 Al\n0.630197 0.600808 0.951385 Al\n0.899512 0.748488 0.056400 Al\n0.763574 0.157251 0.686625 Al\n0.442245 0.335442 0.477629 Al\n0.298551 0.609378 0.399323 Al\n0.324611 0.846879 0.491027 Al\n0.697864 0.385871 0.419101 Al\n0.952026 0.465639 0.290795 Al\n0.185424 0.453919 0.090617 Al\n0.920569 0.406637 0.589743 Al\n0.884724 0.190105 0.380509 Al\n0.691873 0.360522 0.013554 Al\n0.019621 0.872701 0.160525 O\n0.034982 0.385705 0.163791 O\n0.523758 0.278174 0.025962 O\n0.994464 0.335097 0.435784 O\n0.612419 0.450027 0.867472 O\n0.901677 0.303981 0.754697 O\n0.317567 0.775639 0.921689 O\n0.250208 0.000841 0.444402 O\n0.365031 0.458941 0.039497 O\n0.058799 0.920736 0.670950 O\n0.329152 0.069136 0.685750 O\n0.120314 0.537059 0.358548 O\n0.741116 0.069305 0.325839 O\n0.581683 0.995635 0.095653 O\n0.777045 0.855185 0.121156 O\n0.126482 0.176503 0.717345 O\n0.012941 0.789916 0.909698 O\n0.682679 0.699727 0.558375 O\n0.448918 0.133814 0.260909 O\n0.543210 0.910591 0.730631 O\n0.235352 0.052213 0.171060 O\n0.101295 0.440970 0.627522 O\n0.642370 0.697486 0.285804 O\n0.752646 0.198823 0.023573 O\n0.787345 0.675245 0.921804 O\n0.245664 0.233111 0.467640 O\n0.155834 0.997233 0.913056 O\n0.859064 0.410899 0.993666 O\n0.574129 0.441503 0.546866 O\n0.288409 0.815150 0.677696 O\n0.408306 0.846211 0.179578 O\n0.209894 0.759335 0.377307 O\n0.825810 0.519712 0.432001 O\n0.388760 0.597221 0.249660 O\n0.955507 0.109592 0.215658 O\n0.871452 0.057998 0.805927 O\n0.315474 0.299004 0.825983 O\n0.612993 0.153513 0.781158 O\n0.412669 0.687661 0.512867 O\n0.928470 0.639499 0.211260 O\n0.533720 0.382927 0.312258 O\n0.782212 0.273882 0.538897 O\n0.180417 0.636931 0.113793 O\n0.651516 0.495476 0.108351 O\n0.406359 0.078517 0.948483 O\n0.742019 0.020543 0.579664 O\n0.807057 0.329830 0.276392 O\n0.515929 0.926516 0.468716 O\n0.531431 0.699059 0.046180 O\n0.827149 0.826732 0.688893 O\n0.874667 0.539903 0.706736 O\n0.990151 0.083845 0.486667 O\n0.522655 0.181061 0.513614 O\n0.375939 0.521149 0.751834 O\n0.324036 0.454800 0.490094 O\n0.266877 0.305175 0.216127 O\n0.571751 0.671528 0.772585 O\n0.036082 0.185673 0.994345 O\n0.116066 0.463639 0.900280 O\n0.868201 0.841449 0.403192 O\n",
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"formula_full": "Al40 O60",
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{
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"structure_string": "Ca2 As4 Xe8 F40\n1.0\n15.643534 0.000000 0.000000\n0.000000 8.558441 0.000000\n0.000000 3.263873 8.209656\nCa As Xe F\n2 4 8 40\ndirect\n0.159782 0.635043 0.408022 Ca\n0.659782 0.364957 0.591978 Ca\n0.491352 0.198388 0.325735 As\n0.730411 0.716280 0.156065 As\n0.991352 0.801612 0.674265 As\n0.230411 0.283720 0.843935 As\n0.987446 0.968783 0.085888 Xe\n0.752304 0.242333 0.091562 Xe\n0.706328 0.840049 0.632501 Xe\n0.487446 0.031217 0.914112 Xe\n0.935760 0.358846 0.527030 Xe\n0.206328 0.159951 0.367499 Xe\n0.252304 0.757667 0.908438 Xe\n0.435760 0.641154 0.472970 Xe\n0.077151 0.937606 0.673399 F\n0.744002 0.904230 0.984552 F\n0.677380 0.077111 0.635876 F\n0.230758 0.399404 0.363010 F\n0.291366 0.200689 0.721958 F\n0.323896 0.371763 0.890894 F\n0.561693 0.591465 0.558339 F\n0.061693 0.408535 0.441661 F\n0.686546 0.282787 0.871725 F\n0.716915 0.521843 0.333883 F\n0.791366 0.799311 0.278042 F\n0.668976 0.627961 0.039876 F\n0.177380 0.922889 0.364124 F\n0.577151 0.062394 0.326601 F\n0.823896 0.628237 0.109106 F\n0.812487 0.302722 0.615941 F\n0.136400 0.205673 0.786641 F\n0.970770 0.928877 0.468210 F\n0.636400 0.794327 0.213359 F\n0.016299 0.675181 0.876685 F\n0.470770 0.071123 0.531790 F\n0.065434 0.676462 0.604956 F\n0.730758 0.600596 0.636990 F\n0.516299 0.324819 0.123315 F\n0.418981 0.076704 0.261005 F\n0.244002 0.095770 0.015448 F\n0.408782 0.337040 0.330186 F\n0.313983 0.803634 0.691784 F\n0.441215 0.809898 0.078968 F\n0.186546 0.717213 0.128275 F\n0.312487 0.697278 0.384059 F\n0.216915 0.478157 0.666117 F\n0.031972 0.741319 0.262212 F\n0.531972 0.258681 0.737788 F\n0.941215 0.190102 0.921032 F\n0.168976 0.372039 0.960124 F\n0.813983 0.196366 0.308216 F\n0.918981 0.923296 0.738995 F\n0.908782 0.662960 0.669814 F\n0.565434 0.323538 0.395044 F\n",
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{
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"structure_string": "Yb1 Pr1 Ag2\n1.0\n0.000000 3.728835 3.728835\n3.728835 0.000000 3.728835\n3.728835 3.728835 0.000000\nYb Pr Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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