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{
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{
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"spacegroup": 78
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{
"id": "mp-1228703",
"created_at": "2022-09-04T14:47:39.770400Z",
"structure_string": "B2 Sb2 Pb2 S8\n1.0\n5.875030 0.000000 -1.916503\n0.000000 6.265925 0.000000\n0.012563 0.000000 9.572137\nB Sb Pb S\n2 2 2 8\ndirect\n0.169403 0.250003 0.198887 B\n0.830597 0.750003 0.801113 B\n0.690131 0.249998 0.834458 Sb\n0.309869 0.749998 0.165542 Sb\n0.729226 0.301636 0.438146 Pb\n0.270774 0.801636 0.561854 Pb\n0.405611 0.243226 0.585029 S\n0.594389 0.743226 0.414971 S\n0.021744 0.494530 0.215094 S\n0.978256 0.994530 0.784906 S\n0.975955 0.504705 0.781738 S\n0.024045 0.004705 0.218262 S\n0.433994 0.248102 0.156101 S\n0.566006 0.748102 0.843899 S\n",
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"formula_full": "B2 Sb2 Pb2 S8",
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{
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"created_at": "2022-09-04T14:47:39.506236Z",
"structure_string": "Ce4 Se8\n1.0\n2.048896 -3.548793 0.000000\n2.048896 3.548793 0.000000\n0.000000 0.000000 26.813807\nCe Se\n4 8\ndirect\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.500000 Ce\n0.333333 0.666667 0.750008 Ce\n0.333333 0.666667 0.249992 Ce\n0.333333 0.666667 0.936696 Se\n0.333333 0.666667 0.063304 Se\n0.000000 0.000000 0.813196 Se\n0.000000 0.000000 0.186804 Se\n0.000000 0.000000 0.686698 Se\n0.000000 0.000000 0.313302 Se\n0.666667 0.333333 0.563405 Se\n0.666667 0.333333 0.436595 Se\n",
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{
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"structure_string": "Sc3 Ge3 Pd3\n1.0\n3.378225 -5.851257 0.000000\n3.378225 5.851257 0.000000\n0.000000 0.000000 3.968808\nSc Ge Pd\n3 3 3\ndirect\n0.000000 0.576877 0.000000 Sc\n0.423123 0.423123 0.000000 Sc\n0.576877 0.000000 0.000000 Sc\n0.333333 0.666667 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.248850 0.500000 Pd\n0.751150 0.751150 0.500000 Pd\n0.248850 0.000000 0.500000 Pd\n",
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"formula_full": "Sc3 Ge3 Pd3",
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"spacegroup": 189
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{
"id": "mp-773113",
"created_at": "2022-09-04T14:47:39.520894Z",
"structure_string": "H48 Ru4 S4 N16 Cl8 O8\n1.0\n7.422557 0.000000 0.000000\n0.000000 9.403715 0.000000\n0.000000 0.000000 14.179456\nH Ru S N Cl O\n48 4 4 16 8 8\ndirect\n0.057830 0.663527 0.023210 H\n0.442170 0.663527 0.023210 H\n0.999291 0.206305 0.049232 H\n0.500709 0.206305 0.049232 H\n0.099483 0.364242 0.058154 H\n0.400517 0.364242 0.058154 H\n0.034594 0.936694 0.135188 H\n0.465406 0.936694 0.135188 H\n0.461553 0.790709 0.199413 H\n0.038447 0.790709 0.199413 H\n0.599097 0.923759 0.229075 H\n0.900903 0.923759 0.229075 H\n0.099097 0.423759 0.270925 H\n0.400903 0.423759 0.270925 H\n0.538447 0.290709 0.300587 H\n0.961553 0.290709 0.300587 H\n0.965406 0.436694 0.364812 H\n0.534594 0.436694 0.364812 H\n0.900517 0.864242 0.441846 H\n0.599483 0.864242 0.441846 H\n0.000709 0.706305 0.450768 H\n0.499291 0.706305 0.450768 H\n0.557830 0.163527 0.476790 H\n0.942170 0.163527 0.476790 H\n0.057830 0.836473 0.523210 H\n0.442170 0.836473 0.523210 H\n0.999291 0.293695 0.549232 H\n0.500709 0.293695 0.549232 H\n0.099483 0.135758 0.558154 H\n0.400517 0.135758 0.558154 H\n0.034594 0.563306 0.635188 H\n0.465406 0.563306 0.635188 H\n0.038447 0.709291 0.699413 H\n0.461553 0.709291 0.699413 H\n0.599097 0.576241 0.729075 H\n0.900903 0.576241 0.729075 H\n0.099097 0.076241 0.770925 H\n0.400903 0.076241 0.770925 H\n0.538447 0.209291 0.800587 H\n0.961553 0.209291 0.800587 H\n0.534594 0.063306 0.864812 H\n0.965406 0.063306 0.864812 H\n0.599483 0.635758 0.941846 H\n0.900517 0.635758 0.941846 H\n0.499291 0.793695 0.950768 H\n0.000709 0.793695 0.950768 H\n0.557830 0.336473 0.976790 H\n0.942170 0.336473 0.976790 H\n0.750000 0.780113 0.085277 Ru\n0.250000 0.280113 0.414723 Ru\n0.750000 0.719887 0.585277 Ru\n0.250000 0.219887 0.914723 Ru\n0.750000 0.592303 0.166512 S\n0.250000 0.092303 0.333488 S\n0.750000 0.907697 0.666512 S\n0.250000 0.407697 0.833488 S\n0.049383 0.290534 0.011439 N\n0.450617 0.290534 0.011439 N\n0.545185 0.868145 0.173234 N\n0.954815 0.868145 0.173234 N\n0.045185 0.368145 0.326766 N\n0.454815 0.368145 0.326766 N\n0.950617 0.790534 0.488561 N\n0.549383 0.790534 0.488561 N\n0.049383 0.209466 0.511439 N\n0.450617 0.209466 0.511439 N\n0.545185 0.631855 0.673234 N\n0.954815 0.631855 0.673234 N\n0.045185 0.131855 0.826766 N\n0.454815 0.131855 0.826766 N\n0.549383 0.709466 0.988561 N\n0.950617 0.709466 0.988561 N\n0.750000 0.007585 0.003926 Cl\n0.250000 0.565871 0.150877 Cl\n0.750000 0.065871 0.349123 Cl\n0.250000 0.507585 0.496074 Cl\n0.750000 0.492415 0.503926 Cl\n0.250000 0.934129 0.650877 Cl\n0.750000 0.434129 0.849123 Cl\n0.250000 0.992415 0.996074 Cl\n0.750000 0.445797 0.130218 O\n0.250000 0.101604 0.230071 O\n0.750000 0.601604 0.269929 O\n0.250000 0.945797 0.369782 O\n0.750000 0.054203 0.630218 O\n0.250000 0.398396 0.730071 O\n0.750000 0.898396 0.769929 O\n0.250000 0.554203 0.869782 O\n",
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{
"id": "mp-1114071",
"created_at": "2022-09-04T14:47:39.756269Z",
"structure_string": "Rb2 In1 Bi1 Cl6\n1.0\n0.000000 5.704965 5.704965\n5.704965 0.000000 5.704965\n5.704965 5.704965 0.000000\nRb In Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.760942 0.239058 0.239058 Cl\n0.239058 0.239058 0.760942 Cl\n0.239058 0.760942 0.760942 Cl\n0.239058 0.760942 0.239058 Cl\n0.760942 0.239058 0.760942 Cl\n0.760942 0.760942 0.239058 Cl\n",
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{
"id": "mp-1187066",
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"structure_string": "Sn1 Ge3\n1.0\n4.432953 0.000000 0.000000\n0.000000 4.432953 0.000000\n0.000000 0.000000 4.432953\nSn Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n",
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{
"id": "mp-557775",
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"structure_string": "P8 S8 N8 Cl32 O16\n1.0\n7.817921 0.000000 0.000000\n0.000000 11.411660 0.000000\n0.000000 0.000000 20.275725\nP S N Cl O\n8 8 8 32 16\ndirect\n0.890462 0.187330 0.896421 P\n0.609538 0.687330 0.896421 P\n0.609538 0.812670 0.396421 P\n0.890462 0.312670 0.396421 P\n0.390462 0.187330 0.603579 P\n0.109538 0.687330 0.603579 P\n0.109538 0.812670 0.103579 P\n0.390462 0.312670 0.103579 P\n0.384626 0.487411 0.886283 S\n0.884626 0.487411 0.613717 S\n0.615374 0.987411 0.613717 S\n0.384626 0.012589 0.386283 S\n0.115374 0.512589 0.386283 S\n0.115374 0.987411 0.886283 S\n0.615374 0.512589 0.113717 S\n0.884626 0.012589 0.113717 S\n0.543673 0.106065 0.582949 N\n0.043673 0.106065 0.917051 N\n0.956327 0.893935 0.082949 N\n0.456327 0.606065 0.917051 N\n0.543673 0.393935 0.082949 N\n0.043673 0.393935 0.417051 N\n0.456327 0.893935 0.417051 N\n0.956327 0.606065 0.582949 N\n0.428685 0.220253 0.185821 Cl\n0.244819 0.043221 0.801150 Cl\n0.335279 0.890653 0.117015 Cl\n0.244819 0.456779 0.301150 Cl\n0.642677 0.802203 0.967937 Cl\n0.164721 0.390653 0.117015 Cl\n0.142677 0.697797 0.032063 Cl\n0.335279 0.609347 0.617015 Cl\n0.755181 0.956779 0.198850 Cl\n0.928685 0.220253 0.314179 Cl\n0.071315 0.779747 0.685821 Cl\n0.928685 0.279747 0.814179 Cl\n0.744819 0.456779 0.198850 Cl\n0.642677 0.697797 0.467937 Cl\n0.857323 0.302203 0.967937 Cl\n0.255181 0.543221 0.801150 Cl\n0.571315 0.720253 0.314179 Cl\n0.835279 0.890653 0.382985 Cl\n0.142677 0.802203 0.532063 Cl\n0.255181 0.956779 0.301150 Cl\n0.835279 0.609347 0.882985 Cl\n0.744819 0.043221 0.698850 Cl\n0.357323 0.197797 0.032063 Cl\n0.664721 0.390653 0.382985 Cl\n0.357323 0.302203 0.532063 Cl\n0.755181 0.543221 0.698850 Cl\n0.164721 0.109347 0.617015 Cl\n0.857323 0.197797 0.467937 Cl\n0.071315 0.720253 0.185821 Cl\n0.664721 0.109347 0.882985 Cl\n0.571315 0.779747 0.814179 Cl\n0.428685 0.279747 0.685821 Cl\n0.484538 0.909205 0.637460 O\n0.515462 0.409205 0.862540 O\n0.247886 0.555437 0.429114 O\n0.984538 0.590795 0.362540 O\n0.252114 0.055437 0.429114 O\n0.515462 0.090795 0.362540 O\n0.984538 0.909205 0.862540 O\n0.747886 0.555437 0.070886 O\n0.752114 0.444563 0.570886 O\n0.747886 0.944563 0.570886 O\n0.015462 0.409205 0.637460 O\n0.015462 0.090795 0.137460 O\n0.484538 0.590795 0.137460 O\n0.252114 0.444563 0.929114 O\n0.752114 0.055437 0.070886 O\n0.247886 0.944563 0.929114 O\n",
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