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{
"id": "mp-1028411",
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"structure_string": "Ba1 Mg14 Co1\n1.0\n6.598683 0.233237 0.000000\n-3.097352 5.364770 0.000000\n0.000000 0.000000 10.531581\nBa Mg Co\n1 14 1\ndirect\n0.115817 0.807908 0.125000 Ba\n0.151585 0.325792 0.625000 Mg\n0.171810 0.835905 0.625000 Mg\n0.607032 0.314659 0.125000 Mg\n0.659402 0.324746 0.625000 Mg\n0.607032 0.792372 0.125000 Mg\n0.659402 0.834655 0.625000 Mg\n0.349009 0.181822 0.381029 Mg\n0.349009 0.181822 0.868971 Mg\n0.349009 0.667188 0.381029 Mg\n0.349009 0.667188 0.868971 Mg\n0.877650 0.188825 0.332952 Mg\n0.877650 0.188825 0.917048 Mg\n0.832321 0.666161 0.400111 Mg\n0.832321 0.666161 0.849889 Mg\n0.211942 0.355971 0.125000 Co\n",
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{
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"spacegroup": 71
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{
"id": "mp-27911",
"created_at": "2022-09-04T14:46:12.532583Z",
"structure_string": "Bi4 As4 O16\n1.0\n7.288567 0.000000 0.000000\n0.000000 6.835913 0.000000\n0.000000 4.990791 6.744124\nBi As O\n4 4 16\ndirect\n0.633047 0.201082 0.218616 Bi\n0.133047 0.798918 0.281384 Bi\n0.366953 0.798918 0.781384 Bi\n0.866953 0.201082 0.718616 Bi\n0.662476 0.688224 0.201729 As\n0.162476 0.311776 0.298271 As\n0.337524 0.311776 0.798271 As\n0.837524 0.688224 0.701729 As\n0.707133 0.387754 0.391519 O\n0.207133 0.612246 0.108481 O\n0.292867 0.612246 0.608481 O\n0.792867 0.387754 0.891519 O\n0.601520 0.637692 0.026837 O\n0.101520 0.362308 0.473163 O\n0.398480 0.362308 0.973163 O\n0.898480 0.637692 0.526837 O\n0.998544 0.840369 0.737203 O\n0.498544 0.159631 0.762797 O\n0.001456 0.159631 0.262797 O\n0.501456 0.840369 0.237203 O\n0.643847 0.869758 0.609644 O\n0.143847 0.130242 0.890356 O\n0.356153 0.130242 0.390356 O\n0.856153 0.869758 0.109644 O\n",
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},
{
"id": "mp-1095976",
"created_at": "2022-09-04T14:46:29.467534Z",
"structure_string": "Mg2 Ga1 Cu1\n1.0\n-5.246919 5.264858 7.174421\n5.246919 -5.264858 7.174421\n5.246919 5.264858 -7.174421\nMg Ga Cu\n2 1 1\ndirect\n0.000000 0.239444 0.239444 Mg\n0.000000 0.760556 0.760556 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
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"updated_at": "2021-11-28T01:37:41.829000Z",
"spacegroup": 71
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{
"id": "mp-1031460",
"created_at": "2022-09-04T14:46:12.514564Z",
"structure_string": "Mg6 Si1 Sn1 O8\n1.0\n8.814048 -0.000000 0.000000\n0.000000 4.512899 0.000000\n0.000000 0.000000 4.512899\nMg Si Sn O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.258928 0.000000 0.500000 Mg\n0.741072 -0.000000 0.500000 Mg\n0.258928 0.500000 0.000000 Mg\n0.741072 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Si\n0.000000 0.000000 -0.000000 Sn\n0.273796 -0.000000 0.000000 O\n0.726204 0.000000 -0.000000 O\n0.252458 0.500000 0.500000 O\n0.747542 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-O-Si-Sn",
"density": 3.890927153915284,
"density_atomic": 0.0891319367435089,
"volume": 179.50917016470206,
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"formula_full": "Mg6 Si1 Sn1 O8",
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"spacegroup": 123
},
{
"id": "mp-1038158",
"created_at": "2022-09-04T14:46:12.519880Z",
"structure_string": "Mg30 Mn1 Sn1 O32\n1.0\n8.621358 0.000000 0.000000\n0.000000 8.621358 0.000000\n0.000000 0.000000 8.617558\nMg Mn Sn O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255650 0.000000 0.246359 Mg\n0.255650 0.000000 0.753641 Mg\n0.744350 0.000000 0.246359 Mg\n0.744350 0.000000 0.753641 Mg\n0.250454 0.500000 0.249542 Mg\n0.250454 0.500000 0.750458 Mg\n0.749546 0.500000 0.249542 Mg\n0.749546 0.500000 0.750458 Mg\n0.000000 0.255650 0.246359 Mg\n0.000000 0.255650 0.753641 Mg\n0.500000 0.250454 0.249542 Mg\n0.500000 0.250454 0.750458 Mg\n0.000000 0.744350 0.246359 Mg\n0.000000 0.744350 0.753641 Mg\n0.500000 0.749546 0.249542 Mg\n0.500000 0.749546 0.750458 Mg\n0.250991 0.250991 0.000000 Mg\n0.254308 0.254308 0.500000 Mg\n0.749009 0.250991 0.000000 Mg\n0.745692 0.254308 0.500000 Mg\n0.250991 0.749009 0.000000 Mg\n0.254308 0.745692 0.500000 Mg\n0.749009 0.749009 0.000000 Mg\n0.745692 0.745692 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.260061 0.000000 O\n0.000000 0.270123 0.500000 O\n0.500000 0.251663 0.000000 O\n0.500000 0.253402 0.500000 O\n0.000000 0.739939 0.000000 O\n0.000000 0.729877 0.500000 O\n0.500000 0.748337 0.000000 O\n0.500000 0.746598 0.500000 O\n0.249311 0.249311 0.250248 O\n0.249311 0.249311 0.749752 O\n0.750689 0.249311 0.250248 O\n0.750689 0.249311 0.749752 O\n0.249311 0.750689 0.250248 O\n0.249311 0.750689 0.749752 O\n0.750689 0.750689 0.250248 O\n0.750689 0.750689 0.749752 O\n0.000000 0.000000 0.235485 O\n0.000000 0.000000 0.764515 O\n0.500000 0.000000 0.247775 O\n0.500000 0.000000 0.752225 O\n0.000000 0.500000 0.247775 O\n0.000000 0.500000 0.752225 O\n0.500000 0.500000 0.249475 O\n0.500000 0.500000 0.750525 O\n0.260061 0.000000 0.000000 O\n0.270123 0.000000 0.500000 O\n0.739939 0.000000 0.000000 O\n0.729877 0.000000 0.500000 O\n0.251663 0.500000 0.000000 O\n0.253402 0.500000 0.500000 O\n0.748337 0.500000 0.000000 O\n0.746598 0.500000 0.500000 O\n",
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"formula_full": "Mg30 Mn1 Sn1 O32",
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{
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{
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"structure_string": "Sc3 In3 Pt3\n1.0\n3.821768 -6.619496 0.000000\n3.821768 6.619496 0.000000\n0.000000 0.000000 3.520238\nSc In Pt\n3 3 3\ndirect\n0.601942 0.000000 0.000000 Sc\n0.398058 0.398058 0.000000 Sc\n0.000000 0.601942 0.000000 Sc\n0.725753 0.725753 0.500000 In\n0.000000 0.274247 0.500000 In\n0.274247 0.000000 0.500000 In\n0.666667 0.333333 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500000 Pt\n",
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{
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"structure_string": "Zn4 P12 C24 N8 O48\n1.0\n9.968710 0.000000 0.000000\n0.000000 10.804094 0.000000\n0.000000 0.000000 15.574604\nZn P C N O\n4 12 24 8 48\ndirect\n0.896411 0.762648 0.590608 Zn\n0.603589 0.237352 0.090608 Zn\n0.396411 0.737352 0.409392 Zn\n0.103589 0.262648 0.909392 Zn\n0.746723 0.788350 0.770884 P\n0.753277 0.211650 0.270884 P\n0.246723 0.711650 0.229116 P\n0.253277 0.288350 0.729116 P\n0.657201 0.891187 0.491462 P\n0.842799 0.108813 0.991462 P\n0.157201 0.608813 0.508538 P\n0.342799 0.391187 0.008538 P\n0.566238 0.495375 0.456084 P\n0.933762 0.504625 0.956084 P\n0.066238 0.004625 0.543916 P\n0.433762 0.995375 0.043916 P\n0.362923 0.757762 0.876031 C\n0.137077 0.242238 0.376031 C\n0.862923 0.742238 0.123969 C\n0.637077 0.257762 0.623969 C\n0.240389 0.743312 0.906840 C\n0.259611 0.256688 0.406840 C\n0.740389 0.756688 0.093160 C\n0.759611 0.243312 0.593160 C\n0.280769 0.907063 0.783096 C\n0.219231 0.092937 0.283096 C\n0.780769 0.592937 0.216904 C\n0.719231 0.407063 0.716904 C\n0.166660 0.690712 0.770196 C\n0.333340 0.309288 0.270196 C\n0.666660 0.809288 0.229804 C\n0.833340 0.190712 0.729804 C\n0.153353 0.885793 0.812146 C\n0.346647 0.114207 0.312146 C\n0.653353 0.614207 0.187854 C\n0.846647 0.385793 0.687854 C\n0.292076 0.713412 0.738468 C\n0.207924 0.286588 0.238468 C\n0.792076 0.786588 0.261532 C\n0.707924 0.213412 0.761532 C\n0.639176 0.736902 0.154570 N\n0.860824 0.263098 0.654570 N\n0.139176 0.763098 0.845430 N\n0.360824 0.236902 0.345430 N\n0.364579 0.799515 0.790442 N\n0.135421 0.200485 0.290442 N\n0.864579 0.700485 0.209558 N\n0.635421 0.299515 0.709558 N\n0.746236 0.778422 0.512327 O\n0.753764 0.221578 0.012327 O\n0.246236 0.721578 0.487673 O\n0.253764 0.278422 0.987673 O\n0.686846 0.703092 0.840005 O\n0.813154 0.296908 0.340005 O\n0.186846 0.796908 0.159995 O\n0.313154 0.203092 0.659995 O\n0.829101 0.714702 0.704364 O\n0.670899 0.285298 0.204364 O\n0.329101 0.785298 0.295636 O\n0.170899 0.214702 0.795636 O\n0.571995 0.360399 0.425579 O\n0.928005 0.639601 0.925579 O\n0.071995 0.139601 0.574421 O\n0.428005 0.860399 0.074421 O\n0.622775 0.852432 0.730990 O\n0.877225 0.147568 0.230990 O\n0.122775 0.647568 0.269010 O\n0.377225 0.352432 0.769010 O\n0.612580 0.962105 0.573174 O\n0.887420 0.037895 0.073174 O\n0.112580 0.537895 0.426826 O\n0.387420 0.462105 0.926826 O\n0.742003 0.995587 0.448181 O\n0.757997 0.004413 0.948181 O\n0.242003 0.504413 0.551819 O\n0.257997 0.495587 0.051819 O\n0.512961 0.504115 0.549227 O\n0.987039 0.495885 0.049227 O\n0.012961 0.995885 0.450773 O\n0.487039 0.004115 0.950773 O\n0.714228 0.538547 0.462358 O\n0.785772 0.461453 0.962358 O\n0.214228 0.961453 0.537642 O\n0.285772 0.038547 0.037642 O\n0.038152 0.646246 0.564121 O\n0.461848 0.353754 0.064121 O\n0.538152 0.853754 0.435879 O\n0.961848 0.146246 0.935879 O\n0.839963 0.889886 0.808232 O\n0.660037 0.110114 0.308232 O\n0.339963 0.610114 0.191768 O\n0.160037 0.389886 0.691768 O\n0.983844 0.925119 0.606680 O\n0.516156 0.074881 0.106680 O\n0.483844 0.574881 0.393320 O\n0.016156 0.425119 0.893320 O\n",
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