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{
"id": "mp-977355",
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"structure_string": "Li4 Yb8 In4 Ge8\n1.0\n4.401668 0.000000 0.000000\n0.000000 7.187334 0.000000\n0.000000 0.000000 16.732076\nLi Yb In Ge\n4 8 4 8\ndirect\n0.750000 0.010951 0.567586 Li\n0.250000 0.489049 0.067586 Li\n0.750000 0.510951 0.932414 Li\n0.250000 0.989049 0.432414 Li\n0.750000 0.012824 0.278658 Yb\n0.250000 0.487176 0.778658 Yb\n0.750000 0.512824 0.221342 Yb\n0.250000 0.987176 0.721342 Yb\n0.750000 0.159052 0.062078 Yb\n0.250000 0.340948 0.562078 Yb\n0.750000 0.659052 0.437922 Yb\n0.250000 0.840948 0.937922 Yb\n0.750000 0.156524 0.847612 In\n0.250000 0.343476 0.347612 In\n0.750000 0.656524 0.652388 In\n0.250000 0.843476 0.152388 In\n0.750000 0.270896 0.685091 Ge\n0.250000 0.229104 0.185091 Ge\n0.750000 0.770896 0.814909 Ge\n0.250000 0.729104 0.314909 Ge\n0.750000 0.228704 0.438539 Ge\n0.250000 0.271296 0.938539 Ge\n0.750000 0.728704 0.061461 Ge\n0.250000 0.771296 0.561461 Ge\n",
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{
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"structure_string": "Li4 Mn4 Si4 O16\n1.0\n2.862649 -2.975617 3.901467\n5.716154 -0.000034 -7.796201\n2.862644 2.975642 3.901490\nLi Mn Si O\n4 4 4 16\ndirect\n0.500176 0.999972 0.999935 Li\n0.000164 0.499983 0.499872 Li\n0.750005 0.249954 0.249929 Li\n0.250012 0.749955 0.749920 Li\n0.499931 0.500087 0.500222 Mn\n0.500160 0.000197 0.500081 Mn\n0.000371 0.000099 0.000029 Mn\n0.999283 0.499748 0.000141 Mn\n0.067232 0.182966 0.567222 Si\n0.567095 0.683016 0.067180 Si\n0.432695 0.317097 0.932771 Si\n0.932821 0.817053 0.432818 Si\n0.886307 0.128698 0.386201 O\n0.385934 0.628588 0.886212 O\n0.378066 0.135531 0.877932 O\n0.877957 0.635445 0.377928 O\n0.122062 0.364519 0.622051 O\n0.622173 0.864609 0.122047 O\n0.613564 0.371248 0.113848 O\n0.113937 0.871358 0.613829 O\n0.359701 0.122958 0.394447 O\n0.859538 0.622868 0.894490 O\n0.894647 0.122892 0.859652 O\n0.394502 0.622910 0.359679 O\n0.605554 0.377059 0.640282 O\n0.105694 0.877051 0.140242 O\n0.140132 0.377024 0.105551 O\n0.640284 0.877113 0.605491 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.851165851598374,
"density_atomic": 0.10544529630651614,
"volume": 265.5405312590477,
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"formula_full": "Li4 Mn4 Si4 O16",
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"updated_at": "2021-11-28T01:36:51.946000Z",
"spacegroup": 74
},
{
"id": "mp-671861",
"created_at": "2022-09-04T14:45:09.357816Z",
"structure_string": "K4 V2 Ag2 Se8\n1.0\n0.000000 6.821629 11.782638\n3.013913 0.000000 11.782638\n3.013913 6.821629 0.000000\nK V Ag Se\n4 2 2 8\ndirect\n0.187601 0.173779 0.815729 K\n0.825681 0.809692 0.173904 K\n0.060628 0.075114 0.432986 K\n0.423079 0.440756 0.075498 K\n0.001847 0.001983 0.001019 V\n0.255370 0.242842 0.242737 V\n0.502209 0.499077 0.504585 Ag\n0.747451 0.751963 0.758240 Ag\n0.507172 0.877899 0.194284 Se\n0.364384 0.754780 0.842848 Se\n0.873458 0.507276 0.419337 Se\n0.414402 0.204705 0.875362 Se\n0.201599 0.416512 0.496141 Se\n0.829457 0.054665 0.369285 Se\n0.748482 0.372268 0.047576 Se\n0.054114 0.827541 0.742941 Se\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.7895894427577863,
"density_atomic": 0.03302392155618508,
"volume": 484.49727488537303,
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"formula_full": "K4 V2 Ag2 Se8",
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"updated_at": "2021-11-28T01:36:49.956000Z",
"spacegroup": 1
},
{
"id": "mp-1097148",
"created_at": "2022-09-04T14:45:07.746854Z",
"structure_string": "Sc1 Ti1 Co2\n1.0\n-4.392267 5.209414 7.289224\n4.392267 -5.209414 7.289224\n4.392267 5.209414 -7.289224\nSc Ti Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ti\n0.000000 0.266708 0.266708 Co\n0.000000 0.733292 0.733292 Co\n",
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"volume": 667.1429377469746,
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"formula_full": "Sc1 Ti1 Co2",
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"updated_at": "2021-11-28T01:36:57.813000Z",
"spacegroup": 71
},
{
"id": "mp-1246265",
"created_at": "2022-09-04T14:45:07.749256Z",
"structure_string": "Co2 Ni10 N8\n1.0\n8.954768 0.000000 0.000000\n0.000000 5.758650 0.000000\n0.000000 0.000000 3.969603\nCo Ni N\n2 10 8\ndirect\n0.750000 0.250000 0.712096 Co\n0.250000 0.750000 0.287904 Co\n0.595096 0.534102 0.301979 Ni\n0.904904 0.534102 0.301979 Ni\n0.595096 0.965898 0.301979 Ni\n0.904904 0.965898 0.301979 Ni\n0.404904 0.465898 0.698021 Ni\n0.095096 0.465898 0.698021 Ni\n0.404904 0.034102 0.698021 Ni\n0.095096 0.034102 0.698021 Ni\n0.750000 0.750000 0.813624 Ni\n0.250000 0.250000 0.186376 Ni\n0.750000 0.025328 0.022453 N\n0.750000 0.474672 0.022453 N\n0.250000 0.974672 0.977547 N\n0.250000 0.525328 0.977547 N\n0.446913 0.750000 0.456127 N\n0.053087 0.750000 0.456127 N\n0.553087 0.250000 0.543873 N\n0.946913 0.250000 0.543873 N\n",
"nsites": 20,
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"elements": [
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"density": 6.626305193758912,
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"volume": 204.70200548273095,
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"formula_full": "Co2 Ni10 N8",
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"formula_anonymous": "AB4C5",
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},
{
"id": "mp-707515",
"created_at": "2022-09-04T14:45:09.391789Z",
"structure_string": "Mg16 Si8 H1 O32\n1.0\n11.657463 0.000000 0.000000\n0.000000 5.778187 0.000000\n0.000000 0.026719 8.404392\nMg Si H O\n16 8 1 32\ndirect\n0.500000 0.749939 0.782833 Mg\n0.500000 0.250257 0.217258 Mg\n0.251756 0.248352 0.249111 Mg\n0.748244 0.248352 0.249111 Mg\n0.877295 0.000629 0.999337 Mg\n0.122866 0.499409 0.998918 Mg\n0.122705 0.000629 0.999337 Mg\n0.877134 0.499409 0.998918 Mg\n0.000000 0.243678 0.274794 Mg\n0.000000 0.758560 0.728457 Mg\n0.748600 0.751931 0.751138 Mg\n0.251400 0.751931 0.751138 Mg\n0.379479 0.499523 0.500743 Mg\n0.620678 0.000423 0.500634 Mg\n0.620521 0.499523 0.500743 Mg\n0.379322 0.000423 0.500634 Mg\n0.630079 0.749864 0.133394 Si\n0.369921 0.749864 0.133394 Si\n0.369782 0.250137 0.866700 Si\n0.630218 0.250137 0.866700 Si\n0.133976 0.254452 0.634551 Si\n0.866024 0.254452 0.634551 Si\n0.859841 0.745903 0.360771 Si\n0.140159 0.745903 0.360771 Si\n0.000000 0.533400 0.493052 H\n0.500000 0.750357 0.035131 O\n0.500000 0.249658 0.965073 O\n0.500000 0.750049 0.537474 O\n0.500000 0.249892 0.462918 O\n0.740291 0.751161 0.006984 O\n0.259709 0.751161 0.006984 O\n0.259875 0.248984 0.993542 O\n0.740125 0.248984 0.993542 O\n0.874540 0.987177 0.260595 O\n0.128554 0.507003 0.255460 O\n0.127955 0.493339 0.742893 O\n0.873997 0.013631 0.739588 O\n0.126003 0.013631 0.739588 O\n0.872045 0.493339 0.742893 O\n0.871446 0.507003 0.255460 O\n0.125460 0.987177 0.260595 O\n0.000000 0.274305 0.532030 O\n0.000000 0.713836 0.468527 O\n0.000000 0.249136 0.032501 O\n0.000000 0.751094 0.967651 O\n0.241198 0.251670 0.505139 O\n0.758802 0.251670 0.505139 O\n0.756914 0.748667 0.494802 O\n0.243086 0.748667 0.494802 O\n0.372386 0.488951 0.758130 O\n0.627640 0.012534 0.757418 O\n0.627749 0.987382 0.242946 O\n0.372466 0.511316 0.242379 O\n0.627534 0.511316 0.242379 O\n0.372251 0.987382 0.242946 O\n0.372360 0.012534 0.757418 O\n0.627614 0.488951 0.758130 O\n",
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{
"id": "mp-1214309",
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"structure_string": "C16 N16 O32\n1.0\n4.402960 6.382382 0.000000\n-4.402960 6.382382 0.000000\n0.000000 1.940954 13.764375\nC N O\n16 16 32\ndirect\n0.760444 0.052722 0.310392 C\n0.239556 0.947278 0.689608 C\n0.947278 0.239556 0.189608 C\n0.052722 0.760444 0.810392 C\n0.719628 0.267134 0.306936 C\n0.280372 0.732866 0.693064 C\n0.732866 0.280372 0.193064 C\n0.267134 0.719628 0.806936 C\n0.769438 0.066962 0.196706 C\n0.230562 0.933038 0.803294 C\n0.933038 0.230562 0.303294 C\n0.066962 0.769438 0.696706 C\n0.973771 0.016115 0.306766 C\n0.026229 0.983885 0.693234 C\n0.983885 0.026229 0.193234 C\n0.016115 0.973771 0.806766 C\n0.576049 0.406388 0.367450 N\n0.423951 0.593612 0.632550 N\n0.593612 0.423951 0.132550 N\n0.406388 0.576049 0.867450 N\n0.655192 0.950543 0.375922 N\n0.344808 0.049457 0.624078 N\n0.049457 0.344808 0.124078 N\n0.950543 0.655192 0.875922 N\n0.137262 0.897990 0.132291 N\n0.862738 0.102010 0.867709 N\n0.102010 0.862738 0.367709 N\n0.897990 0.137262 0.632291 N\n0.679901 0.972426 0.140432 N\n0.320099 0.027574 0.859568 N\n0.027574 0.320099 0.359568 N\n0.972426 0.679901 0.640432 N\n0.500521 0.974990 0.351718 O\n0.499479 0.025010 0.648282 O\n0.025010 0.499479 0.148282 O\n0.974990 0.500521 0.851718 O\n0.839658 0.094678 0.563753 O\n0.160342 0.905322 0.436247 O\n0.905322 0.160342 0.936247 O\n0.094678 0.839658 0.063753 O\n0.292589 0.869007 0.157339 O\n0.707411 0.130993 0.842661 O\n0.130993 0.707411 0.342661 O\n0.869007 0.292589 0.657339 O\n0.730942 0.857098 0.446538 O\n0.269059 0.142902 0.553462 O\n0.142902 0.269058 0.053462 O\n0.857098 0.730942 0.946538 O\n0.595148 0.062523 0.071639 O\n0.404852 0.937477 0.928361 O\n0.937477 0.404852 0.428361 O\n0.062523 0.595148 0.571639 O\n0.432198 0.444731 0.161507 O\n0.567802 0.555269 0.838493 O\n0.555269 0.567802 0.338493 O\n0.444731 0.432198 0.661507 O\n0.704297 0.810856 0.170214 O\n0.295703 0.189144 0.829786 O\n0.189144 0.295703 0.329786 O\n0.810856 0.704297 0.670214 O\n0.498263 0.347432 0.438167 O\n0.501737 0.652568 0.561833 O\n0.652568 0.501737 0.061833 O\n0.347432 0.498263 0.938167 O\n",
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{
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