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{
"id": "mp-1209199",
"created_at": "2022-09-04T14:42:55.185683Z",
"structure_string": "Rb4 S4 O16\n1.0\n7.920413 0.000000 0.000000\n0.000000 7.469838 0.000000\n0.000000 6.227457 7.564333\nRb S O\n4 4 16\ndirect\n0.317487 0.628798 0.769854 Rb\n0.682513 0.371202 0.230146 Rb\n0.817487 0.371202 0.730146 Rb\n0.182513 0.628798 0.269854 Rb\n0.185819 0.150919 0.245099 S\n0.814181 0.849081 0.754901 S\n0.685819 0.849081 0.254901 S\n0.314181 0.150919 0.745099 S\n0.046738 0.190833 0.326432 O\n0.953262 0.809167 0.673568 O\n0.546738 0.809167 0.173568 O\n0.453262 0.190833 0.826432 O\n0.682662 0.666969 0.829098 O\n0.317338 0.333031 0.170902 O\n0.182662 0.333031 0.670902 O\n0.817338 0.666969 0.329098 O\n0.388393 0.161172 0.600840 O\n0.611607 0.838828 0.399160 O\n0.888393 0.838828 0.899160 O\n0.111607 0.161172 0.100840 O\n0.243003 0.916458 0.885466 O\n0.756997 0.083542 0.114534 O\n0.743003 0.083542 0.614534 O\n0.256997 0.916458 0.385466 O\n",
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{
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"structure_string": "Sr2 Fe4 Se8 O24\n1.0\n-5.463677 7.222027 -0.220397\n-5.463599 -7.221969 0.220365\n5.463659 0.014224 7.293037\nSr Fe Se O\n2 4 8 24\ndirect\n0.750012 0.250012 0.500006 Sr\n0.250008 0.750012 0.500007 Sr\n0.749968 0.749952 0.499946 Fe\n0.250007 0.250005 0.499998 Fe\n0.500044 0.000046 0.000013 Fe\n0.999953 0.499951 0.000005 Fe\n0.844279 0.933567 0.277732 Se\n0.344162 0.433450 0.277723 Se\n0.655727 0.566447 0.722275 Se\n0.155827 0.066548 0.722271 Se\n0.704240 0.407951 0.112215 Se\n0.204339 0.907910 0.112274 Se\n0.295645 0.592063 0.887714 Se\n0.795750 0.092012 0.887776 Se\n0.823344 0.591555 0.914781 O\n0.323241 0.091447 0.914784 O\n0.676662 0.908458 0.085225 O\n0.176767 0.408565 0.085225 O\n0.680455 0.570243 0.250690 O\n0.179874 0.070132 0.250000 O\n0.320131 0.429866 0.749981 O\n0.819556 0.929764 0.749302 O\n0.809315 0.241085 0.805635 O\n0.309282 0.741009 0.805366 O\n0.064351 0.496075 0.805370 O\n0.564544 0.996314 0.805648 O\n0.435644 0.003930 0.194649 O\n0.935438 0.503682 0.194359 O\n0.690679 0.258913 0.194365 O\n0.190709 0.758984 0.194638 O\n0.518521 0.336484 0.589817 O\n0.018515 0.836652 0.589802 O\n0.753163 0.571292 0.589805 O\n0.253339 0.071307 0.589815 O\n0.746853 0.928724 0.410209 O\n0.246675 0.428701 0.410185 O\n0.981492 0.163525 0.410185 O\n0.481488 0.663368 0.410206 O\n",
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"formula_full": "Sr2 Fe4 Se8 O24",
"formula_reduced": "SrFe2(SeO3)4",
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},
{
"id": "mp-31761",
"created_at": "2022-09-04T14:42:55.197680Z",
"structure_string": "Nb2 Fe2 O8\n1.0\n0.000000 -3.898186 0.000000\n-6.350425 1.949093 0.000000\n2.057429 0.000000 -6.446320\nNb Fe O\n2 2 8\ndirect\n0.100546 0.207848 0.229722 Nb\n0.892698 0.792152 0.770278 Nb\n0.197631 0.397613 0.813620 Fe\n0.800019 0.602387 0.186380 Fe\n0.254469 0.511874 0.144916 O\n0.742595 0.488126 0.855084 O\n0.361267 0.727257 0.797101 O\n0.634009 0.272743 0.202899 O\n0.047932 0.107048 0.864465 O\n0.940884 0.892952 0.135535 O\n0.140104 0.275218 0.511960 O\n0.864886 0.724782 0.488040 O\n",
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},
{
"id": "mp-1027034",
"created_at": "2022-09-04T14:42:55.209927Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n1.680588 -2.910865 0.000000\n1.680588 2.910865 0.000000\n0.000000 0.000000 38.306346\nTe Mo W S\n4 2 2 4\ndirect\n0.000000 0.000000 0.331393 Te\n0.000000 0.000000 0.706804 Te\n0.000000 0.000000 0.232145 Te\n0.000000 0.000000 0.608271 Te\n0.000000 0.000000 0.093919 Mo\n0.333333 0.666667 0.657562 Mo\n0.000000 0.000000 0.469682 W\n0.333333 0.666667 0.281799 W\n0.333333 0.666667 0.054410 S\n0.333333 0.666667 0.430041 S\n0.333333 0.666667 0.133437 S\n0.333333 0.666667 0.509285 S\n",
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"volume": 374.78659162538906,
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"formula_full": "Te4 Mo2 W2 S4",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 156
},
{
"id": "mp-1216872",
"created_at": "2022-09-04T14:42:55.227656Z",
"structure_string": "Tm4 Mn2 Ge8 O24\n1.0\n0.000000 0.000000 4.998772\n9.957410 -0.041582 0.000000\n-0.041582 9.957410 0.000000\nTm Mn Ge O\n4 2 8 24\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.750000 0.750000 Tm\n0.500000 0.250000 0.250000 Tm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.996174 0.747089 0.480037 Ge\n0.003826 0.252911 0.519963 Ge\n0.003826 0.247089 0.980037 Ge\n0.996174 0.752911 0.019963 Ge\n0.003826 0.480037 0.747089 Ge\n0.996174 0.519963 0.252911 Ge\n0.996174 0.980037 0.247089 Ge\n0.003826 0.019963 0.752911 Ge\n0.261656 0.566118 0.668279 O\n0.255467 0.064044 0.330975 O\n0.255467 0.435956 0.169025 O\n0.261656 0.933882 0.831721 O\n0.738344 0.433882 0.331721 O\n0.744533 0.935956 0.669025 O\n0.744533 0.564044 0.830975 O\n0.738344 0.066118 0.168279 O\n0.738344 0.668279 0.566118 O\n0.744533 0.330975 0.064044 O\n0.744533 0.169025 0.435956 O\n0.738344 0.831721 0.933882 O\n0.261656 0.331721 0.433882 O\n0.255467 0.669025 0.935956 O\n0.255467 0.830975 0.564044 O\n0.261656 0.168279 0.066118 O\n0.831414 0.369523 0.630477 O\n0.828212 0.873925 0.373925 O\n0.828212 0.626075 0.126075 O\n0.831414 0.130477 0.869523 O\n0.168586 0.630477 0.369523 O\n0.171788 0.126075 0.626075 O\n0.171788 0.373925 0.873925 O\n0.168586 0.869523 0.130477 O\n",
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"formula_full": "Tm4 Mn2 Ge8 O24",
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},
{
"id": "mp-672257",
"created_at": "2022-09-04T14:42:55.238247Z",
"structure_string": "Tm2 Ga8 Fe1\n1.0\n4.213162 0.000000 0.000000\n0.000000 4.213162 0.000000\n0.000000 0.000000 11.163367\nTm Ga Fe\n2 8 1\ndirect\n0.500000 0.500000 0.694398 Tm\n0.500000 0.500000 0.305602 Tm\n0.000000 0.500000 0.884532 Ga\n0.000000 0.000000 0.301134 Ga\n0.000000 0.500000 0.115468 Ga\n0.500000 0.000000 0.884532 Ga\n0.500000 0.000000 0.115468 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.698866 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Fe\n",
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{
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"structure_string": "Mn14 Fe2 Cl6 O20\n1.0\n0.000000 6.674327 6.674327\n6.674327 0.000000 6.674327\n6.674327 6.674327 0.000000\nMn Fe Cl O\n14 2 6 20\ndirect\n0.648638 0.000000 0.351362 Mn\n0.351362 0.648638 0.000000 Mn\n0.000000 0.000000 0.351362 Mn\n0.648638 0.000000 0.000000 Mn\n0.351362 0.000000 0.648638 Mn\n0.000000 0.351362 0.648638 Mn\n0.000000 0.351362 0.000000 Mn\n0.648638 0.351362 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.648638 0.000000 Mn\n0.000000 0.000000 0.648638 Mn\n0.000000 0.648638 0.351362 Mn\n0.351362 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.696509 0.303491 0.303491 Cl\n0.303491 0.696509 0.696509 Cl\n0.696509 0.696509 0.303491 Cl\n0.303491 0.696509 0.303491 Cl\n0.696509 0.303491 0.696509 Cl\n0.303491 0.303491 0.696509 Cl\n0.596281 0.903719 0.903719 O\n0.596281 0.903719 0.596281 O\n0.300043 0.899986 0.899986 O\n0.596281 0.596281 0.903719 O\n0.903719 0.596281 0.903719 O\n0.096281 0.096281 0.403719 O\n0.403719 0.096281 0.096281 O\n0.903719 0.596281 0.596281 O\n0.100014 0.699957 0.100014 O\n0.899986 0.300043 0.899986 O\n0.100014 0.100014 0.100014 O\n0.403719 0.403719 0.096281 O\n0.903719 0.903719 0.596281 O\n0.699957 0.100014 0.100014 O\n0.096281 0.403719 0.403719 O\n0.899986 0.899986 0.300043 O\n0.403719 0.096281 0.403719 O\n0.899986 0.899986 0.899986 O\n0.100014 0.100014 0.699957 O\n0.096281 0.403719 0.096281 O\n",
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{
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{
"id": "mp-541067",
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"structure_string": "Hg4 N4 O8\n1.0\n10.741070 0.000000 0.000000\n0.000000 4.661167 0.000000\n0.000000 2.225231 6.201712\nHg N O\n4 4 8\ndirect\n0.918268 0.151415 0.854931 Hg\n0.418268 0.848585 0.645069 Hg\n0.081732 0.848585 0.145069 Hg\n0.581732 0.151415 0.354931 Hg\n0.795391 0.653313 0.519794 N\n0.295391 0.346687 0.980206 N\n0.204609 0.346687 0.480206 N\n0.704609 0.653313 0.019794 N\n0.762341 0.374568 0.606266 O\n0.262341 0.625432 0.893734 O\n0.237659 0.625432 0.393734 O\n0.737659 0.374568 0.106266 O\n0.896942 0.723545 0.581012 O\n0.396942 0.276455 0.918988 O\n0.103058 0.276455 0.418988 O\n0.603058 0.723545 0.081012 O\n",
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{
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