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{
"id": "mp-771162",
"created_at": "2022-09-04T14:40:26.504994Z",
"structure_string": "Na6 Cu2 Si2 C2 O14\n1.0\n6.545884 0.000000 0.000000\n0.000000 5.153253 0.000000\n0.000000 0.160752 9.099185\nNa Cu Si C O\n6 2 2 2 14\ndirect\n0.750000 0.235343 0.910101 Na\n0.991095 0.747833 0.733004 Na\n0.508905 0.747833 0.733004 Na\n0.491095 0.252167 0.266996 Na\n0.008905 0.252167 0.266996 Na\n0.250000 0.764657 0.089899 Na\n0.250000 0.210643 0.650889 Cu\n0.750000 0.789357 0.349111 Cu\n0.750000 0.292891 0.576441 Si\n0.250000 0.707109 0.423559 Si\n0.250000 0.271778 0.940233 C\n0.750000 0.728222 0.059767 C\n0.750000 0.715260 0.918632 O\n0.250000 0.047697 0.877031 O\n0.250000 0.480105 0.858518 O\n0.945603 0.220098 0.684690 O\n0.554397 0.220098 0.684690 O\n0.750000 0.609748 0.541723 O\n0.250000 0.850557 0.582002 O\n0.750000 0.149443 0.417998 O\n0.250000 0.390252 0.458277 O\n0.445603 0.779902 0.315310 O\n0.054397 0.779902 0.315310 O\n0.750000 0.519895 0.141482 O\n0.750000 0.952303 0.122969 O\n0.250000 0.284740 0.081368 O\n",
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{
"id": "mp-1194838",
"created_at": "2022-09-04T14:40:26.501189Z",
"structure_string": "Ga8 Sn4 Ge4 S24\n1.0\n0.000000 6.029974 22.873601\n3.629498 0.000000 22.873601\n3.629498 6.029974 0.000000\nGa Sn Ge S\n8 4 4 24\ndirect\n0.642053 0.991991 0.027884 Ga\n0.027884 0.338073 0.642053 Ga\n0.258009 0.607947 0.911927 Ga\n0.911927 0.222116 0.258009 Ga\n0.956623 0.811155 0.757649 Ga\n0.757649 0.474573 0.956623 Ga\n0.438845 0.293377 0.775427 Ga\n0.775427 0.492351 0.438845 Ga\n0.108712 0.538509 0.396554 Sn\n0.396554 0.956225 0.108712 Sn\n0.711491 0.141288 0.293775 Sn\n0.293775 0.853446 0.711491 Sn\n0.780881 0.719119 0.780881 Ge\n0.530881 0.469119 0.530881 Ge\n0.289329 0.210671 0.289329 Ge\n0.039329 0.960671 0.039329 Ge\n0.426991 0.151423 0.375505 S\n0.375505 0.046081 0.426991 S\n0.098577 0.823009 0.203919 S\n0.203919 0.874495 0.098577 S\n0.792674 0.920370 0.088897 S\n0.088897 0.198059 0.792674 S\n0.329630 0.457326 0.051941 S\n0.051941 0.161103 0.329630 S\n0.287068 0.449799 0.545417 S\n0.545417 0.717715 0.287068 S\n0.800201 0.962932 0.532285 S\n0.532285 0.704583 0.800201 S\n0.930721 0.578810 0.408118 S\n0.408118 0.082350 0.930721 S\n0.671190 0.319279 0.167650 S\n0.167650 0.841882 0.671190 S\n0.382239 0.255230 0.926947 S\n0.926947 0.435583 0.382239 S\n0.994770 0.867761 0.814417 S\n0.814417 0.323053 0.994770 S\n0.922400 0.657904 0.846696 S\n0.846696 0.573000 0.922400 S\n0.592096 0.327600 0.677000 S\n0.677000 0.403304 0.592096 S\n",
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"formula_full": "Ga8 Sn4 Ge4 S24",
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"spacegroup": 43
},
{
"id": "mp-1183019",
"created_at": "2022-09-04T14:40:26.500770Z",
"structure_string": "Al4 H60 Br12 N20\n1.0\n9.054386 0.000000 0.000000\n0.000000 11.118545 0.000000\n0.000000 0.000000 15.982212\nAl H Br N\n4 60 12 20\ndirect\n0.148097 0.250000 0.588216 Al\n0.351903 0.250000 0.088216 Al\n0.851903 0.750000 0.411784 Al\n0.648097 0.750000 0.911784 Al\n0.072792 0.250000 0.249735 H\n0.427208 0.250000 0.749735 H\n0.927208 0.750000 0.750265 H\n0.572792 0.750000 0.250265 H\n0.091489 0.676143 0.896683 H\n0.408511 0.823857 0.396683 H\n0.908511 0.176143 0.103317 H\n0.591489 0.323857 0.603317 H\n0.908511 0.323857 0.103317 H\n0.591489 0.176143 0.603317 H\n0.091489 0.823857 0.896683 H\n0.408511 0.676143 0.396683 H\n0.697122 0.250000 0.667295 H\n0.802878 0.250000 0.167295 H\n0.302878 0.750000 0.332705 H\n0.197122 0.750000 0.832705 H\n0.870328 0.687882 0.730607 H\n0.629672 0.812118 0.230607 H\n0.129672 0.187882 0.269393 H\n0.370328 0.312118 0.769393 H\n0.129672 0.312118 0.269393 H\n0.370328 0.187882 0.769393 H\n0.870328 0.812118 0.730607 H\n0.629672 0.687882 0.230607 H\n0.901058 0.250000 0.813380 H\n0.598942 0.250000 0.313380 H\n0.098942 0.750000 0.186620 H\n0.401058 0.750000 0.686620 H\n0.105102 0.134830 0.664391 H\n0.394898 0.365170 0.164391 H\n0.894898 0.634830 0.335609 H\n0.605102 0.865170 0.835609 H\n0.894898 0.865170 0.335609 H\n0.605102 0.634830 0.835609 H\n0.105102 0.365170 0.664391 H\n0.394898 0.134830 0.164391 H\n0.871174 0.566647 0.016879 H\n0.628826 0.933353 0.516879 H\n0.128826 0.066647 0.983121 H\n0.371174 0.433353 0.483121 H\n0.128826 0.433353 0.983121 H\n0.371174 0.066647 0.483121 H\n0.871174 0.933353 0.016879 H\n0.628826 0.566647 0.516879 H\n0.514467 0.978648 0.586223 H\n0.985533 0.521352 0.086223 H\n0.485533 0.478648 0.413777 H\n0.014467 0.021352 0.913777 H\n0.485533 0.021352 0.413777 H\n0.014467 0.478648 0.913777 H\n0.514467 0.521352 0.586223 H\n0.985533 0.978648 0.086223 H\n0.170778 0.097933 0.696810 H\n0.329222 0.402067 0.196810 H\n0.829222 0.597933 0.303190 H\n0.670778 0.902067 0.803190 H\n0.829222 0.902067 0.303190 H\n0.670778 0.597933 0.803190 H\n0.170778 0.402067 0.696810 H\n0.329222 0.097933 0.196810 H\n0.546358 0.250000 0.997937 Br\n0.953642 0.250000 0.497937 Br\n0.453642 0.750000 0.002063 Br\n0.046358 0.750000 0.502063 Br\n0.309743 0.025905 0.768000 Br\n0.190257 0.474095 0.268000 Br\n0.690257 0.525905 0.232000 Br\n0.809743 0.974095 0.732000 Br\n0.690257 0.974095 0.232000 Br\n0.809743 0.525905 0.732000 Br\n0.309743 0.474095 0.768000 Br\n0.190257 0.025905 0.268000 Br\n0.967640 0.250000 0.868519 N\n0.532360 0.250000 0.368519 N\n0.032360 0.750000 0.131481 N\n0.467640 0.750000 0.631481 N\n0.097817 0.250000 0.862491 N\n0.402183 0.250000 0.362491 N\n0.902183 0.750000 0.137509 N\n0.597817 0.750000 0.637509 N\n0.593228 0.250000 0.642100 N\n0.906772 0.250000 0.142100 N\n0.406772 0.750000 0.357900 N\n0.093228 0.750000 0.857900 N\n0.939112 0.495212 0.030591 N\n0.560888 0.004788 0.530591 N\n0.060888 0.995212 0.969409 N\n0.439112 0.504788 0.469409 N\n0.060888 0.504788 0.969409 N\n0.439112 0.995212 0.469409 N\n0.939112 0.004788 0.030591 N\n0.560888 0.495212 0.530591 N\n",
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"elements": [
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"N"
],
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"density": 1.452506309401708,
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"volume": 1608.954824625345,
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"formula_full": "Al4 H60 Br12 N20",
"formula_reduced": "AlH15Br3N5",
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"spacegroup": 62
},
{
"id": "mp-1223968",
"created_at": "2022-09-04T14:40:26.499412Z",
"structure_string": "Ho2 Si1 Ge1\n1.0\n2.135214 -5.292866 0.000000\n2.135214 5.292866 0.000000\n0.000000 0.000000 3.881002\nHo Si Ge\n2 1 1\ndirect\n0.138954 0.861046 0.000000 Ho\n0.860123 0.139877 0.500000 Ho\n0.581891 0.418109 0.500000 Si\n0.419032 0.580968 0.000000 Ge\n",
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"spacegroup": 38
},
{
"id": "mp-1247131",
"created_at": "2022-09-04T14:40:26.497637Z",
"structure_string": "Mg2 Sc1 Mn3 S8\n1.0\n6.381197 -0.003228 3.681432\n2.125565 6.010665 3.678753\n-0.002625 -0.005135 7.367400\nMg Sc Mn S\n2 1 3 8\ndirect\n0.874955 0.874656 0.875043 Mg\n0.125038 0.125335 0.124969 Mg\n0.500016 0.500061 0.499903 Sc\n0.500034 0.499974 0.000003 Mn\n0.999993 0.499989 0.500019 Mn\n0.499995 0.000000 0.500023 Mn\n0.738456 0.738652 0.738736 S\n0.252971 0.253369 0.718727 S\n0.253210 0.718355 0.253161 S\n0.718788 0.253394 0.252905 S\n0.746768 0.281640 0.746834 S\n0.281208 0.746592 0.747112 S\n0.261531 0.261333 0.261289 S\n0.747041 0.746644 0.281277 S\n",
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{
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{
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{
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{
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{
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"structure_string": "Li1 Sc2 Rh1\n1.0\n0.000000 3.286846 3.286846\n3.286846 0.000000 3.286846\n3.286846 3.286846 0.000000\nLi Sc Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Rh\n",
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}