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{
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{
"id": "mp-675477",
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"structure_string": "Sn4 Bi2 Se7\n1.0\n3.006453 6.794199 0.000000\n-3.006453 6.794199 0.000000\n0.000000 1.518803 9.380769\nSn Bi Se\n4 2 7\ndirect\n0.425994 0.425994 0.233582 Sn\n0.141666 0.141666 0.060920 Sn\n0.858334 0.858334 0.939080 Sn\n0.574006 0.574006 0.766418 Sn\n0.712138 0.712138 0.355173 Bi\n0.287862 0.287862 0.644827 Bi\n0.219389 0.219389 0.365734 Se\n0.919239 0.919239 0.210958 Se\n0.647504 0.647504 0.070963 Se\n0.352496 0.352496 0.929037 Se\n0.080761 0.080761 0.789042 Se\n0.780611 0.780611 0.634266 Se\n0.500000 0.500000 0.500000 Se\n",
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{
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},
{
"id": "mp-1047148",
"created_at": "2022-09-04T14:40:03.256524Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n-2.766340 2.766340 6.400434\n2.766340 -2.766340 6.400434\n2.766340 2.766340 -6.400434\nCa Cu O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.875000 0.125000 0.250000 Cu\n0.375000 0.125000 0.250000 Cu\n0.875000 0.625000 0.750000 Cu\n0.875000 0.125000 0.750000 Cu\n0.658954 0.879565 0.779388 O\n0.120435 0.899823 0.779388 O\n0.120435 0.341046 0.220612 O\n0.091046 0.370435 0.720612 O\n0.649823 0.370435 0.279388 O\n0.629565 0.350177 0.720612 O\n0.100177 0.879565 0.220612 O\n0.629565 0.908954 0.279388 O\n",
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"formula_full": "Ca2 Cu4 O8",
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},
{
"id": "mp-1176738",
"created_at": "2022-09-04T14:40:02.958817Z",
"structure_string": "Li4 Mn28 O56\n1.0\n4.157058 9.362646 0.000000\n-4.157058 9.362646 0.000000\n0.000000 1.799411 12.992107\nLi Mn O\n4 28 56\ndirect\n0.268189 0.018438 0.821077 Li\n0.731811 0.981562 0.178923 Li\n0.018438 0.268189 0.321077 Li\n0.981562 0.731811 0.678923 Li\n0.857035 0.359032 0.928868 Mn\n0.714065 0.712437 0.857297 Mn\n0.571115 0.073611 0.785490 Mn\n0.213211 0.713385 0.858659 Mn\n0.142525 0.145984 0.070226 Mn\n0.571339 0.570177 0.786206 Mn\n0.857475 0.854016 0.929774 Mn\n0.500000 0.000000 0.000000 Mn\n0.142965 0.640968 0.071132 Mn\n0.428885 0.926389 0.214510 Mn\n0.000000 0.000000 0.000000 Mn\n0.285935 0.287563 0.142703 Mn\n0.359032 0.857035 0.428868 Mn\n0.428661 0.429823 0.213794 Mn\n0.073611 0.571115 0.285490 Mn\n0.786789 0.286615 0.141341 Mn\n0.712437 0.714065 0.357297 Mn\n0.570177 0.571339 0.286206 Mn\n0.000000 0.500000 0.500000 Mn\n0.854016 0.857475 0.429774 Mn\n0.713385 0.213211 0.358659 Mn\n0.145984 0.142525 0.570226 Mn\n0.926389 0.428885 0.714510 Mn\n0.287563 0.285935 0.642703 Mn\n0.640968 0.142965 0.571132 Mn\n0.000000 0.000000 0.500000 Mn\n0.429823 0.428661 0.713794 Mn\n0.286615 0.786789 0.641341 Mn\n0.813641 0.346095 0.790450 O\n0.626150 0.597050 0.915390 O\n0.938392 0.471918 0.852405 O\n0.486387 0.957811 0.859232 O\n0.804706 0.828870 0.797765 O\n0.093564 0.130952 0.936967 O\n0.614501 0.080521 0.924576 O\n0.738606 0.768973 0.985767 O\n0.898102 0.370075 0.067992 O\n0.453759 0.484424 0.843213 O\n0.261394 0.231027 0.014233 O\n0.385499 0.919479 0.075424 O\n0.974405 0.939529 0.870503 O\n0.101898 0.629925 0.932008 O\n0.906436 0.869048 0.063033 O\n0.227088 0.750575 0.996031 O\n0.195294 0.171130 0.202235 O\n0.513613 0.042189 0.140768 O\n0.373850 0.402950 0.084610 O\n0.659545 0.686352 0.228371 O\n0.061608 0.528082 0.147595 O\n0.346095 0.813641 0.290450 O\n0.772912 0.249425 0.003969 O\n0.186359 0.653905 0.209550 O\n0.471918 0.938392 0.352405 O\n0.313648 0.340455 0.271629 O\n0.597050 0.626150 0.415390 O\n0.025595 0.060471 0.129497 O\n0.828870 0.804706 0.297765 O\n0.130952 0.093564 0.436967 O\n0.546241 0.515576 0.156787 O\n0.957811 0.486387 0.359232 O\n0.673410 0.200378 0.217082 O\n0.484424 0.453759 0.343213 O\n0.768973 0.738606 0.485767 O\n0.799622 0.326590 0.282918 O\n0.370075 0.898102 0.567992 O\n0.080521 0.614501 0.424576 O\n0.231027 0.261394 0.514233 O\n0.919479 0.385499 0.575424 O\n0.629925 0.101898 0.432008 O\n0.939529 0.974405 0.370503 O\n0.042189 0.513613 0.640768 O\n0.750575 0.227088 0.496031 O\n0.171130 0.195294 0.702235 O\n0.869048 0.906436 0.563033 O\n0.686352 0.659545 0.728371 O\n0.402950 0.373850 0.584610 O\n0.528082 0.061608 0.647595 O\n0.249425 0.772912 0.503969 O\n0.340455 0.313648 0.771629 O\n0.060471 0.025595 0.629497 O\n0.653905 0.186359 0.709550 O\n0.515576 0.546241 0.656787 O\n0.200378 0.673410 0.717082 O\n0.326590 0.799622 0.782918 O\n",
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"elements": [
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"volume": 1011.3332159502461,
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"formula_full": "Li4 Mn28 O56",
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{
"id": "mp-13335",
"created_at": "2022-09-04T14:40:03.076674Z",
"structure_string": "Cd8 B16 O32\n1.0\n4.486297 -7.770495 0.000000\n4.486297 7.770495 0.000000\n0.000000 0.000000 7.272582\nCd B O\n8 16 32\ndirect\n0.000000 0.000000 0.062500 Cd\n0.000000 0.000000 0.562500 Cd\n0.521233 0.045704 0.043153 Cd\n0.475529 0.521233 0.543153 Cd\n0.045704 0.524471 0.543153 Cd\n0.954296 0.475529 0.043153 Cd\n0.524471 0.478767 0.043153 Cd\n0.478767 0.954296 0.543153 Cd\n0.848363 0.177298 0.346000 B\n0.671065 0.848363 0.846000 B\n0.177298 0.328935 0.846000 B\n0.822702 0.671065 0.346000 B\n0.328935 0.151637 0.346000 B\n0.151637 0.822702 0.846000 B\n0.672680 0.847816 0.231343 B\n0.824863 0.672680 0.731343 B\n0.666667 0.333333 0.750932 B\n0.333333 0.666667 0.250932 B\n0.666667 0.333333 0.366947 B\n0.333333 0.666667 0.866947 B\n0.327320 0.152184 0.731343 B\n0.175137 0.327320 0.231343 B\n0.152184 0.824863 0.231343 B\n0.847816 0.175137 0.731343 B\n0.004516 0.707649 0.722320 O\n0.707649 0.703132 0.222320 O\n0.304073 0.807598 0.794795 O\n0.496475 0.304073 0.294795 O\n0.807598 0.503525 0.294795 O\n0.192402 0.496475 0.794795 O\n0.503525 0.695927 0.794795 O\n0.695927 0.192402 0.294795 O\n0.666667 0.333333 0.559907 O\n0.333333 0.666667 0.059907 O\n0.329392 0.091906 0.537956 O\n0.237486 0.329392 0.037956 O\n0.091906 0.762514 0.037956 O\n0.908094 0.237486 0.537956 O\n0.762514 0.670608 0.537956 O\n0.670608 0.908094 0.037956 O\n0.186860 0.002843 0.828124 O\n0.184017 0.186860 0.328124 O\n0.002843 0.815983 0.328124 O\n0.997157 0.184017 0.828124 O\n0.815983 0.813140 0.828124 O\n0.813140 0.997157 0.328124 O\n0.493256 0.205923 0.828212 O\n0.287333 0.493256 0.328212 O\n0.205923 0.712667 0.328212 O\n0.794077 0.287333 0.828212 O\n0.712667 0.506744 0.828212 O\n0.506744 0.794077 0.328212 O\n0.292351 0.296868 0.722320 O\n0.995484 0.292351 0.222320 O\n0.296868 0.004516 0.222320 O\n0.703132 0.995484 0.722320 O\n",
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{
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{
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{
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"structure_string": "Sc14 Cr10 Ge18\n1.0\n-9.966060 -0.041575 0.000000\n0.041575 9.966060 0.000000\n-4.962243 4.962243 -7.058978\nSc Cr Ge\n14 10 18\ndirect\n0.837454 0.837454 0.325091 Sc\n0.162546 0.162546 0.674909 Sc\n0.434907 0.686690 0.623034 Sc\n0.942059 0.690276 0.623034 Sc\n0.690276 0.942059 0.623034 Sc\n0.686690 0.434907 0.623034 Sc\n0.565093 0.313310 0.376966 Sc\n0.057941 0.309724 0.376966 Sc\n0.309724 0.057941 0.376966 Sc\n0.313310 0.565093 0.376966 Sc\n0.678233 0.321767 0.000000 Sc\n0.321767 0.678233 0.000000 Sc\n0.320162 0.320162 0.000000 Sc\n0.679838 0.679838 0.000000 Sc\n0.583266 0.903791 0.193721 Cr\n0.223013 0.902488 0.193721 Cr\n0.902488 0.223013 0.193721 Cr\n0.903791 0.583266 0.193721 Cr\n0.416734 0.096209 0.806279 Cr\n0.776987 0.097512 0.806279 Cr\n0.097512 0.776987 0.806279 Cr\n0.096209 0.416734 0.806279 Cr\n0.123112 0.123112 0.000000 Cr\n0.876888 0.876888 0.000000 Cr\n0.500691 0.874065 0.000000 Ge\n0.499309 0.125935 0.000000 Ge\n0.874065 0.500691 0.000000 Ge\n0.125935 0.499309 0.000000 Ge\n0.611109 0.611109 0.777781 Ge\n0.388891 0.388891 0.222219 Ge\n0.250000 0.750000 0.500000 Ge\n0.750000 0.250000 0.500000 Ge\n0.622967 0.038496 0.338537 Ge\n0.038496 0.622967 0.338537 Ge\n0.038802 0.038802 0.327867 Ge\n0.633330 0.633330 0.327867 Ge\n0.377033 0.961504 0.661463 Ge\n0.961504 0.377033 0.661463 Ge\n0.961198 0.961198 0.672133 Ge\n0.366670 0.366670 0.672133 Ge\n0.874475 0.125525 0.000000 Ge\n0.125525 0.874475 0.000000 Ge\n",
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{
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