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{
"id": "mp-1196889",
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"structure_string": "Mg12 B44 O96\n1.0\n9.226541 0.000000 0.000000\n0.000000 10.743723 0.000000\n0.000000 0.000000 16.556324\nMg B O\n12 44 96\ndirect\n0.562285 0.750000 0.000000 Mg\n0.937715 0.250000 0.500000 Mg\n0.437715 0.250000 0.000000 Mg\n0.062285 0.750000 0.500000 Mg\n0.940503 0.913274 0.167706 Mg\n0.559497 0.413274 0.332294 Mg\n0.559497 0.086726 0.667706 Mg\n0.940503 0.586726 0.832294 Mg\n0.059497 0.086726 0.832294 Mg\n0.440503 0.586726 0.667706 Mg\n0.440503 0.913274 0.332294 Mg\n0.059497 0.413274 0.167706 Mg\n0.860195 0.750000 0.000000 B\n0.639805 0.250000 0.500000 B\n0.139805 0.250000 0.000000 B\n0.360195 0.750000 0.500000 B\n0.813876 0.569356 0.086951 B\n0.686124 0.069356 0.413049 B\n0.686124 0.430644 0.586951 B\n0.813876 0.930644 0.913049 B\n0.186124 0.430644 0.913049 B\n0.313876 0.930644 0.586951 B\n0.313876 0.569356 0.413049 B\n0.186124 0.069356 0.086951 B\n0.042707 0.698794 0.104159 B\n0.457293 0.198794 0.395841 B\n0.457293 0.301206 0.604159 B\n0.042707 0.801206 0.895841 B\n0.957293 0.301206 0.895841 B\n0.542707 0.801206 0.604159 B\n0.542707 0.698794 0.395841 B\n0.957293 0.198794 0.104159 B\n0.298989 0.621894 0.102203 B\n0.201011 0.121894 0.397797 B\n0.201011 0.378106 0.602203 B\n0.298989 0.878106 0.897797 B\n0.701011 0.378106 0.897797 B\n0.798989 0.878106 0.602203 B\n0.798989 0.621894 0.397797 B\n0.701011 0.121894 0.102203 B\n0.221985 0.761830 0.210840 B\n0.278015 0.261830 0.289160 B\n0.278015 0.238170 0.710840 B\n0.221985 0.738170 0.789160 B\n0.778015 0.238170 0.789160 B\n0.721985 0.738170 0.710840 B\n0.721985 0.761830 0.289160 B\n0.778015 0.261830 0.210840 B\n0.643341 0.908147 0.176413 B\n0.856659 0.408147 0.323587 B\n0.856659 0.091853 0.676413 B\n0.643341 0.591853 0.823587 B\n0.356659 0.091853 0.823587 B\n0.143341 0.591853 0.676413 B\n0.143341 0.908147 0.323587 B\n0.356659 0.408147 0.176413 B\n0.950357 0.792167 0.067201 O\n0.549643 0.292167 0.432799 O\n0.549643 0.207833 0.567201 O\n0.950357 0.707833 0.932799 O\n0.049643 0.207833 0.932799 O\n0.450357 0.707833 0.567201 O\n0.450357 0.792167 0.432799 O\n0.049643 0.292167 0.067201 O\n0.759790 0.650934 0.030329 O\n0.740210 0.150934 0.469671 O\n0.740210 0.349066 0.530329 O\n0.759790 0.849066 0.969671 O\n0.240210 0.349066 0.969671 O\n0.259790 0.849066 0.530329 O\n0.259790 0.650934 0.469671 O\n0.240210 0.150934 0.030329 O\n0.736858 0.479343 0.124895 O\n0.763142 0.979343 0.375105 O\n0.763142 0.520657 0.624895 O\n0.736858 0.020657 0.875105 O\n0.263142 0.520657 0.875105 O\n0.236858 0.020657 0.624895 O\n0.236858 0.479343 0.375105 O\n0.263142 0.979343 0.124895 O\n0.958657 0.575643 0.114411 O\n0.541343 0.075643 0.385589 O\n0.541343 0.424357 0.614411 O\n0.958657 0.924357 0.885589 O\n0.041343 0.424357 0.885589 O\n0.458657 0.924357 0.614411 O\n0.458657 0.575643 0.385589 O\n0.041343 0.075643 0.114411 O\n0.080611 0.754657 0.182717 O\n0.419389 0.254657 0.317283 O\n0.419389 0.245343 0.682717 O\n0.080611 0.745343 0.817283 O\n0.919389 0.245343 0.817283 O\n0.580611 0.745343 0.682717 O\n0.580611 0.754657 0.317283 O\n0.919389 0.254657 0.182717 O\n0.168195 0.659941 0.057068 O\n0.331805 0.159941 0.442932 O\n0.331805 0.340059 0.557068 O\n0.168195 0.840059 0.942932 O\n0.831805 0.340059 0.942932 O\n0.668195 0.840059 0.557068 O\n0.668195 0.659941 0.442932 O\n0.831805 0.159941 0.057068 O\n0.418190 0.627017 0.046134 O\n0.081810 0.127017 0.453866 O\n0.081810 0.372983 0.546134 O\n0.418190 0.872983 0.953866 O\n0.581810 0.372983 0.953866 O\n0.918190 0.872983 0.546134 O\n0.918190 0.627017 0.453866 O\n0.581810 0.127017 0.046134 O\n0.261062 0.495220 0.132359 O\n0.238938 0.995220 0.367641 O\n0.238938 0.504780 0.632359 O\n0.261062 0.004780 0.867641 O\n0.738938 0.504780 0.867641 O\n0.761062 0.004780 0.632359 O\n0.761062 0.495220 0.367641 O\n0.738938 0.995220 0.132359 O\n0.330671 0.698074 0.173700 O\n0.169329 0.198074 0.326300 O\n0.169329 0.301926 0.673700 O\n0.330671 0.801926 0.826300 O\n0.669329 0.301926 0.826300 O\n0.830671 0.801926 0.673700 O\n0.830671 0.698074 0.326300 O\n0.669329 0.198074 0.173700 O\n0.251751 0.829668 0.279762 O\n0.248249 0.329668 0.220238 O\n0.248249 0.170332 0.779762 O\n0.251751 0.670332 0.720238 O\n0.748249 0.170332 0.720238 O\n0.751751 0.670332 0.779762 O\n0.751751 0.829668 0.220238 O\n0.748249 0.329668 0.279762 O\n0.033710 0.962982 0.275288 O\n0.466290 0.462982 0.224712 O\n0.466290 0.037018 0.775288 O\n0.033710 0.537018 0.724712 O\n0.966290 0.037018 0.724712 O\n0.533710 0.537018 0.775288 O\n0.533710 0.962982 0.224712 O\n0.966290 0.462982 0.275288 O\n0.066950 0.843820 0.386993 O\n0.433050 0.343820 0.113007 O\n0.433050 0.156180 0.886993 O\n0.066950 0.656180 0.613007 O\n0.933050 0.156180 0.613007 O\n0.566950 0.656180 0.886993 O\n0.566950 0.843820 0.113007 O\n0.933050 0.343820 0.386993 O\n",
"nsites": 152,
"nelements": 3,
"elements": [
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O",
"density": 2.33044793864294,
"density_atomic": 0.09261598556878796,
"volume": 1641.185364130323,
"volume_molar": 6.502269260555697,
"formula_full": "Mg12 B44 O96",
"formula_reduced": "Mg3B11O24",
"formula_anonymous": "A3B11C24",
"energy": -1139.63901438,
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"updated_at": "2021-11-28T01:35:03.406000Z",
"spacegroup": 60
},
{
"id": "mp-1247717",
"created_at": "2022-09-04T14:41:20.228176Z",
"structure_string": "Ca32 Mn24 Al8 O88\n1.0\n10.824257 -0.016325 -0.060800\n-0.022623 15.228153 0.045775\n-0.059590 0.032394 10.760565\nCa Mn Al O\n32 24 8 88\ndirect\n0.010276 0.112635 0.500502 Ca\n0.021339 0.120764 0.991920 Ca\n0.021050 0.627842 0.501667 Ca\n0.023600 0.626142 0.995569 Ca\n0.522131 0.127400 0.505432 Ca\n0.525352 0.121649 0.975284 Ca\n0.520844 0.625305 0.499390 Ca\n0.527052 0.629404 0.996009 Ca\n0.496076 0.365729 0.005768 Ca\n0.476717 0.382500 0.509064 Ca\n0.499439 0.874587 0.978502 Ca\n0.481757 0.872484 0.508247 Ca\n0.970195 0.379724 0.001629 Ca\n0.974298 0.387027 0.508629 Ca\n0.982780 0.874804 0.011068 Ca\n0.973018 0.873081 0.507151 Ca\n0.229604 0.385018 0.257170 Ca\n0.239785 0.378637 0.744256 Ca\n0.227860 0.881244 0.242490 Ca\n0.239554 0.877703 0.758780 Ca\n0.729705 0.385249 0.249677 Ca\n0.727765 0.374906 0.752040 Ca\n0.739564 0.866814 0.242177 Ca\n0.726688 0.874913 0.742177 Ca\n0.248068 0.120100 0.251955 Ca\n0.273789 0.119621 0.735937 Ca\n0.265805 0.620936 0.257653 Ca\n0.256378 0.630897 0.747281 Ca\n0.755721 0.119479 0.255393 Ca\n0.765115 0.119258 0.754232 Ca\n0.777340 0.626365 0.255502 Ca\n0.777087 0.624321 0.757552 Ca\n0.997096 0.993722 0.254337 Mn\n0.998675 0.997921 0.754316 Mn\n0.998383 0.501976 0.252390 Mn\n0.006761 0.499073 0.753865 Mn\n0.496471 0.501721 0.247007 Mn\n0.505371 0.500548 0.742823 Mn\n0.258894 0.004209 0.003688 Mn\n0.248947 0.500254 0.501471 Mn\n0.751062 0.997529 0.994801 Mn\n0.742919 0.000036 0.500322 Mn\n0.748688 0.501166 0.004201 Mn\n0.751128 0.501177 0.498752 Mn\n0.253140 0.745204 0.998236 Mn\n0.250645 0.753915 0.496872 Mn\n0.753286 0.243371 0.004234 Mn\n0.752628 0.251183 0.504787 Mn\n0.752947 0.749415 0.998426 Mn\n0.751959 0.747871 0.500827 Mn\n0.992306 0.249099 0.755464 Mn\n0.004901 0.747398 0.252839 Mn\n0.001474 0.752217 0.750387 Mn\n0.499318 0.248890 0.743675 Mn\n0.506564 0.746981 0.254491 Mn\n0.499170 0.749059 0.747931 Mn\n0.510353 0.981536 0.227134 Al\n0.497807 0.999059 0.741456 Al\n0.230066 0.995705 0.514349 Al\n0.232975 0.493778 0.016956 Al\n0.251647 0.253793 0.954914 Al\n0.270545 0.240796 0.469926 Al\n0.985767 0.265340 0.283785 Al\n0.518300 0.261475 0.272328 Al\n0.116748 0.767327 0.113576 O\n0.103979 0.770396 0.600419 O\n0.561241 0.242374 0.117942 O\n0.605946 0.275975 0.603352 O\n0.602171 0.768897 0.102162 O\n0.599357 0.762983 0.600146 O\n0.392489 0.216650 0.356082 O\n0.395872 0.229373 0.886895 O\n0.390924 0.727483 0.389810 O\n0.401549 0.733283 0.899288 O\n0.899203 0.228126 0.411539 O\n0.900534 0.233562 0.900845 O\n0.897449 0.729186 0.397397 O\n0.897027 0.727893 0.896422 O\n0.136345 0.232069 0.337319 O\n0.153318 0.234585 0.823355 O\n0.148395 0.728151 0.354205 O\n0.144347 0.735827 0.851695 O\n0.653480 0.233406 0.356879 O\n0.646543 0.232325 0.853252 O\n0.653216 0.727727 0.357781 O\n0.646446 0.730903 0.850507 O\n0.359373 0.263512 0.625603 O\n0.349717 0.769872 0.646208 O\n0.893303 0.243941 0.149190 O\n0.861037 0.278718 0.644192 O\n0.859285 0.768133 0.142750 O\n0.855074 0.772384 0.646900 O\n0.360247 0.477272 0.133557 O\n0.357147 0.479586 0.642735 O\n0.366021 0.014099 0.163238 O\n0.359631 0.989551 0.627022 O\n0.854372 0.480026 0.148252 O\n0.858189 0.479486 0.649716 O\n0.855956 0.983955 0.145082 O\n0.858782 0.979647 0.646132 O\n0.139110 0.015613 0.363832 O\n0.149478 0.025188 0.863044 O\n0.148779 0.515621 0.352756 O\n0.163169 0.512621 0.859167 O\n0.590027 0.037573 0.345652 O\n0.643156 0.012881 0.852464 O\n0.646077 0.521356 0.349905 O\n0.637332 0.520895 0.862086 O\n0.394275 0.015548 0.888381 O\n0.392621 0.517232 0.394846 O\n0.881264 0.025556 0.383877 O\n0.894905 0.021687 0.895439 O\n0.900074 0.523052 0.396835 O\n0.899693 0.513200 0.898562 O\n0.100259 0.475563 0.111377 O\n0.109856 0.479782 0.606976 O\n0.108407 0.998000 0.113402 O\n0.101670 0.980027 0.613832 O\n0.602689 0.479542 0.107747 O\n0.612444 0.481461 0.599574 O\n0.609885 0.977289 0.098929 O\n0.603531 0.983611 0.602392 O\n0.004977 0.379048 0.290818 O\n0.021169 0.373444 0.783644 O\n0.008902 0.868115 0.287131 O\n0.017296 0.876392 0.797505 O\n0.500044 0.376352 0.287702 O\n0.497017 0.377581 0.790417 O\n0.488813 0.871426 0.278242 O\n0.502915 0.874401 0.769699 O\n0.499219 0.125531 0.717300 O\n0.480797 0.626144 0.205989 O\n0.475735 0.623233 0.722469 O\n0.988703 0.128681 0.710104 O\n0.996051 0.622233 0.209025 O\n0.999198 0.624470 0.717278 O\n0.210895 0.176019 0.064766 O\n0.238416 0.126073 0.517452 O\n0.253615 0.617961 0.032291 O\n0.239689 0.623858 0.536060 O\n0.737547 0.120781 0.037139 O\n0.738253 0.128192 0.541383 O\n0.741988 0.625799 0.038851 O\n0.743808 0.624294 0.543486 O\n0.246726 0.363216 0.469250 O\n0.257038 0.367962 0.985906 O\n0.262964 0.879899 0.457570 O\n0.282374 0.868192 0.005206 O\n0.763586 0.377168 0.458216 O\n0.748498 0.369656 0.982767 O\n0.751326 0.875512 0.457585 O\n0.763541 0.874140 0.958885 O\n",
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"elements": [
"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O",
"density": 3.9554338302907825,
"density_atomic": 0.08570014895744513,
"volume": 1773.6258553701746,
"volume_molar": 7.026989839878021,
"formula_full": "Ca32 Mn24 Al8 O88",
"formula_reduced": "Ca4Mn3AlO11",
"formula_anonymous": "AB3C4D11",
"energy": -1160.0723558900002,
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"updated_at": "2021-11-28T01:35:19.088000Z",
"spacegroup": 1
},
{
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{
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"nsites": 152,
"nelements": 5,
"elements": [
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],
"chemical_system": "C-Cl-H-N-Te",
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"volume_molar": 8.03909602691473,
"formula_full": "Te4 H84 C28 N12 Cl24",
"formula_reduced": "TeH21C7(NCl2)3",
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"updated_at": "2021-11-28T01:38:31.338000Z",
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},
{
"id": "mp-1203956",
"created_at": "2022-09-04T14:42:17.974894Z",
"structure_string": "Mn4 Sn4 H64 C24 S12 O44\n1.0\n10.052437 0.000000 0.000000\n0.000000 10.836910 0.000000\n-1.789229 0.000000 16.087479\nMn Sn H C S O\n4 4 64 24 12 44\ndirect\n0.899311 0.727938 0.801637 Mn\n0.100689 0.227938 0.698363 Mn\n0.100689 0.272062 0.198363 Mn\n0.899311 0.772062 0.301637 Mn\n0.314248 0.748453 0.582334 Sn\n0.685752 0.248453 0.917666 Sn\n0.685752 0.251547 0.417666 Sn\n0.314248 0.751547 0.082334 Sn\n0.807626 0.974449 0.822641 H\n0.192374 0.474449 0.677359 H\n0.192374 0.025551 0.177359 H\n0.807626 0.525551 0.322641 H\n0.964518 0.963252 0.850606 H\n0.035482 0.463252 0.649394 H\n0.035482 0.036748 0.149394 H\n0.964518 0.536748 0.350606 H\n0.009734 0.772095 0.962369 H\n0.990266 0.272095 0.537631 H\n0.990266 0.227905 0.037631 H\n0.009734 0.727905 0.462369 H\n0.901773 0.666876 0.976961 H\n0.098227 0.166876 0.523039 H\n0.098227 0.333124 0.023039 H\n0.901773 0.833124 0.476961 H\n0.645422 0.668923 0.861064 H\n0.354578 0.168923 0.638936 H\n0.354578 0.331077 0.138936 H\n0.645422 0.831077 0.361064 H\n0.611950 0.729395 0.772601 H\n0.388050 0.229395 0.727399 H\n0.388050 0.270605 0.227399 H\n0.611950 0.770605 0.272601 H\n0.016863 0.494608 0.780903 H\n0.983137 0.994608 0.719097 H\n0.983137 0.505392 0.219097 H\n0.016863 0.005392 0.280903 H\n0.944649 0.487646 0.863788 H\n0.055351 0.987646 0.636212 H\n0.055351 0.512354 0.136212 H\n0.944649 0.012354 0.363788 H\n0.856183 0.656091 0.632919 H\n0.143817 0.156091 0.867081 H\n0.143817 0.343909 0.367081 H\n0.856183 0.843909 0.132919 H\n0.829984 0.800850 0.629803 H\n0.170016 0.300850 0.870197 H\n0.170016 0.199150 0.370197 H\n0.829984 0.699150 0.129803 H\n0.389938 0.005445 0.405912 H\n0.610062 0.505445 0.094088 H\n0.610062 0.994555 0.594088 H\n0.389938 0.494555 0.905912 H\n0.283503 0.948074 0.776814 H\n0.716497 0.448074 0.723186 H\n0.716497 0.051926 0.223186 H\n0.283503 0.551926 0.276814 H\n0.354191 0.817262 0.831081 H\n0.645809 0.317262 0.668919 H\n0.645809 0.182738 0.168919 H\n0.354191 0.682738 0.331081 H\n0.267637 0.376039 0.520473 H\n0.732363 0.876039 0.979527 H\n0.732363 0.623961 0.479527 H\n0.267637 0.123961 0.020473 H\n0.373324 0.470191 0.465647 H\n0.626676 0.970191 0.034353 H\n0.626676 0.529809 0.534353 H\n0.373324 0.029809 0.965647 H\n0.274435 0.889456 0.366309 H\n0.725565 0.389456 0.133691 H\n0.725565 0.110544 0.633691 H\n0.274435 0.610544 0.866309 H\n0.314855 0.851842 0.769311 C\n0.685145 0.351842 0.730689 C\n0.685145 0.148158 0.230689 C\n0.314855 0.648158 0.269311 C\n0.186975 0.781297 0.741025 C\n0.813025 0.281297 0.758975 C\n0.813025 0.218703 0.258975 C\n0.186975 0.718703 0.241025 C\n0.299366 0.471479 0.511125 C\n0.700634 0.971479 0.988875 C\n0.700634 0.528521 0.488875 C\n0.299366 0.028521 0.011125 C\n0.177015 0.541814 0.472001 C\n0.822985 0.041814 0.027999 C\n0.822985 0.458186 0.527999 C\n0.177015 0.958186 0.972001 C\n0.330822 0.926226 0.423128 C\n0.669178 0.426226 0.076872 C\n0.669178 0.073774 0.576872 C\n0.330822 0.573774 0.923128 C\n0.225870 0.974484 0.476021 C\n0.774130 0.474484 0.023979 C\n0.774130 0.025516 0.523979 C\n0.225870 0.525516 0.976021 C\n0.447995 0.848730 0.701917 S\n0.552005 0.348730 0.798083 S\n0.552005 0.151270 0.298083 S\n0.447995 0.651270 0.201917 S\n0.377987 0.529525 0.610164 S\n0.622013 0.029525 0.889836 S\n0.622013 0.470475 0.389836 S\n0.377987 0.970475 0.110164 S\n0.447551 0.809978 0.468437 S\n0.552449 0.309978 0.031563 S\n0.552449 0.190022 0.531563 S\n0.447551 0.690022 0.968437 S\n0.160572 0.742436 0.665822 O\n0.839428 0.242436 0.834178 O\n0.839428 0.257564 0.334178 O\n0.160572 0.757564 0.165822 O\n0.108187 0.765462 0.795387 O\n0.891813 0.265462 0.704613 O\n0.891813 0.234538 0.204613 O\n0.108187 0.734538 0.295387 O\n0.155872 0.653046 0.496662 O\n0.844128 0.153046 0.003338 O\n0.844128 0.346954 0.503338 O\n0.155872 0.846954 0.996662 O\n0.102217 0.488127 0.415771 O\n0.897783 0.988127 0.084229 O\n0.897783 0.511873 0.584229 O\n0.102217 0.011873 0.915771 O\n0.198789 0.914435 0.541117 O\n0.801211 0.414435 0.958883 O\n0.801211 0.085565 0.458883 O\n0.198789 0.585565 0.041117 O\n0.165367 0.072296 0.452391 O\n0.834633 0.572296 0.047609 O\n0.834633 0.927704 0.547609 O\n0.165367 0.427704 0.952391 O\n0.891471 0.937313 0.806539 O\n0.108529 0.437313 0.693461 O\n0.108529 0.062687 0.193461 O\n0.891471 0.562687 0.306539 O\n0.925064 0.732654 0.937951 O\n0.074936 0.232654 0.562049 O\n0.074936 0.267346 0.062049 O\n0.925064 0.767346 0.437951 O\n0.684752 0.691718 0.810772 O\n0.315248 0.191718 0.689228 O\n0.315248 0.308282 0.189228 O\n0.684752 0.808282 0.310772 O\n0.942901 0.527989 0.809597 O\n0.057099 0.027989 0.690403 O\n0.057099 0.472011 0.190403 O\n0.942901 0.972011 0.309597 O\n0.831529 0.727881 0.666315 O\n0.168471 0.227881 0.833685 O\n0.168471 0.272119 0.333685 O\n0.831529 0.772119 0.166315 O\n",
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},
{
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"created_at": "2022-09-04T14:43:07.793081Z",
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"elements": [
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"updated_at": "2021-11-28T01:36:05.278000Z",
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{
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{
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{
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{
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"nelements": 3,
"elements": [
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"Mo",
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],
"chemical_system": "Gd-Mo-O",
"density": 4.713632434151614,
"density_atomic": 0.06225883310782204,
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"formula_full": "Gd16 Mo28 O108",
"formula_reduced": "Gd4Mo7O27",
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"updated_at": "2021-11-28T01:37:00.363000Z",
"spacegroup": 15
},
{
"id": "mp-1195203",
"created_at": "2022-09-04T14:40:25.870010Z",
"structure_string": "Mn8 B16 H112 N16\n1.0\n8.828378 0.000000 0.000000\n0.000000 9.453076 0.000000\n0.000000 0.000000 18.033289\nMn B H N\n8 16 112 16\ndirect\n0.526639 0.637108 0.876674 Mn\n0.973361 0.362892 0.376674 Mn\n0.026639 0.862892 0.123326 Mn\n0.473361 0.137108 0.623326 Mn\n0.473361 0.362892 0.123326 Mn\n0.026639 0.637108 0.623326 Mn\n0.973361 0.137108 0.876674 Mn\n0.526639 0.862892 0.376674 Mn\n0.772794 0.577283 0.864512 B\n0.727206 0.422717 0.364512 B\n0.272794 0.922717 0.135488 B\n0.227206 0.077283 0.635488 B\n0.227206 0.422717 0.135488 B\n0.272794 0.577283 0.635488 B\n0.727206 0.077283 0.864512 B\n0.772794 0.922717 0.364512 B\n0.325602 0.474499 0.891709 B\n0.174398 0.525501 0.391709 B\n0.825602 0.025501 0.108291 B\n0.674398 0.974499 0.608291 B\n0.674398 0.525501 0.108291 B\n0.825602 0.474499 0.608291 B\n0.174398 0.974499 0.891709 B\n0.325602 0.025501 0.391709 B\n0.421970 0.851680 0.966606 H\n0.078030 0.148320 0.466606 H\n0.921970 0.648320 0.033394 H\n0.578030 0.351680 0.533394 H\n0.578030 0.148320 0.033394 H\n0.921970 0.851680 0.533394 H\n0.078030 0.351680 0.966606 H\n0.421970 0.648320 0.466606 H\n0.608320 0.858063 0.968870 H\n0.891680 0.141937 0.468870 H\n0.108320 0.641937 0.031130 H\n0.391680 0.358063 0.531130 H\n0.391680 0.141937 0.031130 H\n0.108320 0.858063 0.531130 H\n0.891680 0.358063 0.968870 H\n0.608320 0.641937 0.468870 H\n0.518516 0.741119 0.019736 H\n0.981484 0.258881 0.519736 H\n0.018516 0.758881 0.980264 H\n0.481484 0.241119 0.480264 H\n0.481484 0.258881 0.980264 H\n0.018516 0.741119 0.480264 H\n0.981484 0.241119 0.019736 H\n0.518516 0.758881 0.519736 H\n0.365042 0.836252 0.802459 H\n0.134958 0.163748 0.302459 H\n0.865042 0.663748 0.197541 H\n0.634958 0.336252 0.697541 H\n0.634958 0.163748 0.197541 H\n0.865042 0.836252 0.697541 H\n0.134958 0.336252 0.802459 H\n0.365042 0.663748 0.302459 H\n0.447054 0.737177 0.738691 H\n0.052946 0.262823 0.238691 H\n0.947054 0.762823 0.261309 H\n0.552946 0.237177 0.761309 H\n0.552946 0.262823 0.261309 H\n0.947054 0.737177 0.761309 H\n0.052946 0.237177 0.738691 H\n0.447054 0.762823 0.238691 H\n0.543643 0.862980 0.781255 H\n0.956357 0.137020 0.281255 H\n0.043643 0.637020 0.218745 H\n0.456357 0.362980 0.718745 H\n0.456357 0.137020 0.218745 H\n0.043643 0.862980 0.718745 H\n0.956357 0.362980 0.781255 H\n0.543643 0.637020 0.281255 H\n0.755830 0.707205 0.867312 H\n0.744170 0.292795 0.367312 H\n0.255830 0.792795 0.132688 H\n0.244170 0.207205 0.632688 H\n0.244170 0.292795 0.132688 H\n0.255830 0.707205 0.632688 H\n0.744170 0.207205 0.867312 H\n0.755830 0.792795 0.367312 H\n0.901798 0.551128 0.846733 H\n0.598202 0.448872 0.346733 H\n0.401798 0.948872 0.153267 H\n0.098202 0.051128 0.653267 H\n0.098202 0.448872 0.153267 H\n0.401798 0.551128 0.653267 H\n0.598202 0.051128 0.846733 H\n0.901798 0.948872 0.346733 H\n0.739225 0.526498 0.925360 H\n0.760775 0.473502 0.425360 H\n0.239225 0.973502 0.074640 H\n0.260775 0.026498 0.574640 H\n0.260775 0.473502 0.074640 H\n0.239225 0.526498 0.574640 H\n0.760775 0.026498 0.925360 H\n0.739225 0.973502 0.425360 H\n0.684561 0.528750 0.816778 H\n0.815439 0.471250 0.316778 H\n0.184561 0.971250 0.183222 H\n0.315439 0.028750 0.683222 H\n0.315439 0.471250 0.183222 H\n0.184561 0.528750 0.683222 H\n0.815439 0.028750 0.816778 H\n0.684561 0.971250 0.316778 H\n0.378144 0.488399 0.828044 H\n0.121856 0.511601 0.328044 H\n0.878144 0.011601 0.171956 H\n0.621856 0.988399 0.671956 H\n0.621856 0.511601 0.171956 H\n0.878144 0.488399 0.671956 H\n0.121856 0.988399 0.828044 H\n0.378144 0.011601 0.328044 H\n0.214856 0.549712 0.899786 H\n0.285144 0.450288 0.399786 H\n0.714856 0.950288 0.100214 H\n0.785144 0.049712 0.600214 H\n0.785144 0.450288 0.100214 H\n0.714856 0.549712 0.600214 H\n0.285144 0.049712 0.899786 H\n0.214856 0.950288 0.399786 H\n0.300019 0.349642 0.901855 H\n0.199981 0.650358 0.401855 H\n0.800019 0.150358 0.098145 H\n0.699981 0.849642 0.598145 H\n0.699981 0.650358 0.098145 H\n0.800019 0.349642 0.598145 H\n0.199981 0.849642 0.901855 H\n0.300019 0.150358 0.401855 H\n0.423478 0.504655 0.939452 H\n0.076522 0.495345 0.439452 H\n0.923478 0.995345 0.060548 H\n0.576522 0.004655 0.560548 H\n0.576522 0.495345 0.060548 H\n0.923478 0.504655 0.560548 H\n0.076522 0.004655 0.939452 H\n0.423478 0.995345 0.439452 H\n0.517989 0.790329 0.969051 N\n0.982011 0.209671 0.469051 N\n0.017989 0.709671 0.030949 N\n0.482011 0.290329 0.530949 N\n0.482011 0.209671 0.030949 N\n0.017989 0.790329 0.530949 N\n0.982011 0.290329 0.969051 N\n0.517989 0.709671 0.469051 N\n0.464011 0.785411 0.788918 N\n0.035989 0.214589 0.288918 N\n0.964011 0.714589 0.211082 N\n0.535989 0.285411 0.711082 N\n0.535989 0.214589 0.211082 N\n0.964011 0.785411 0.711082 N\n0.035989 0.285411 0.788918 N\n0.464011 0.714589 0.288918 N\n",
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"elements": [
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],
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"formula_full": "Mn8 B16 H112 N16",
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"updated_at": "2021-11-28T01:34:59.620000Z",
"spacegroup": 61
}
]
}