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{
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{
"id": "mp-1097222",
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{
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"spacegroup": 225
},
{
"id": "mp-28346",
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"structure_string": "Sr4 Se8 O20\n1.0\n7.047852 0.000000 0.000000\n1.258035 6.999354 0.000000\n1.696471 0.703915 10.993671\nSr Se O\n4 8 20\ndirect\n0.194023 0.356416 0.892127 Sr\n0.805977 0.643584 0.107873 Sr\n0.685771 0.609063 0.756789 Sr\n0.314229 0.390937 0.243211 Sr\n0.583785 0.164522 0.624147 Se\n0.416215 0.835478 0.375853 Se\n0.128461 0.271877 0.568340 Se\n0.871539 0.728123 0.431660 Se\n0.123006 0.832535 0.787623 Se\n0.876994 0.167465 0.212377 Se\n0.304971 0.835620 0.041050 Se\n0.695029 0.164380 0.958950 Se\n0.700814 0.947139 0.664719 O\n0.299186 0.052861 0.335281 O\n0.540429 0.287090 0.754231 O\n0.459571 0.712910 0.245769 O\n0.034132 0.374747 0.700842 O\n0.965868 0.625253 0.299158 O\n0.241650 0.432401 0.477987 O\n0.758350 0.567599 0.522013 O\n0.338424 0.098480 0.624941 O\n0.661576 0.901520 0.375059 O\n0.318379 0.658000 0.768503 O\n0.681621 0.342000 0.231497 O\n0.813192 0.029580 0.094893 O\n0.186808 0.970420 0.905107 O\n0.464752 0.229373 0.027417 O\n0.535248 0.770627 0.972583 O\n0.793717 0.368790 0.943958 O\n0.206283 0.631210 0.056042 O\n0.048574 0.289250 0.131139 O\n0.951426 0.710750 0.868861 O\n",
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"elements": [
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"formula_full": "Sr4 Se8 O20",
"formula_reduced": "SrSe2O5",
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"spacegroup": 2
},
{
"id": "mp-555098",
"created_at": "2022-09-04T14:43:38.305472Z",
"structure_string": "Sr4 Se4 O12\n1.0\n4.497798 0.000000 0.000000\n0.000000 5.580901 0.000000\n0.000000 0.000000 12.763398\nSr Se O\n4 4 12\ndirect\n0.522776 0.250000 0.651332 Sr\n0.977224 0.250000 0.151332 Sr\n0.477224 0.750000 0.348668 Sr\n0.022776 0.750000 0.848668 Sr\n0.496925 0.250000 0.921136 Se\n0.996925 0.750000 0.578864 Se\n0.003075 0.250000 0.421136 Se\n0.503075 0.750000 0.078864 Se\n0.971532 0.010634 0.335303 O\n0.971532 0.489366 0.335303 O\n0.121081 0.250000 0.947775 O\n0.378919 0.250000 0.447775 O\n0.028468 0.989366 0.664697 O\n0.528468 0.489366 0.835303 O\n0.621081 0.750000 0.552225 O\n0.528468 0.010634 0.835303 O\n0.878919 0.750000 0.052225 O\n0.028468 0.510634 0.664697 O\n0.471532 0.989366 0.164697 O\n0.471532 0.510634 0.164697 O\n",
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"density": 4.448607698156709,
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"volume": 320.3838217412142,
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"formula_full": "Sr4 Se4 O12",
"formula_reduced": "SrSeO3",
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},
{
"id": "mp-3395",
"created_at": "2022-09-04T14:44:55.805724Z",
"structure_string": "Sr2 Se2 O6\n1.0\n5.595086 0.000000 0.000000\n0.000000 4.493080 0.000000\n0.000000 2.099426 6.405491\nSr Se O\n2 2 6\ndirect\n0.750000 0.654037 0.695567 Sr\n0.250000 0.345963 0.304433 Sr\n0.750000 0.935450 0.157886 Se\n0.250000 0.064550 0.842114 Se\n0.011184 0.173244 0.670351 O\n0.511184 0.826756 0.329649 O\n0.988816 0.826756 0.329649 O\n0.488816 0.173244 0.670351 O\n0.250000 0.663215 0.898949 O\n0.750000 0.336785 0.101051 O\n",
"nsites": 10,
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"density": 4.425489839977415,
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"formula_full": "Sr2 Se2 O6",
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"updated_at": "2021-11-28T01:36:43.257000Z",
"spacegroup": 11
},
{
"id": "mp-4092",
"created_at": "2022-09-04T14:48:14.469174Z",
"structure_string": "Sr4 Se4 O16\n1.0\n7.480980 0.000000 0.000000\n0.000000 6.974880 0.000000\n0.000000 5.247592 7.042330\nSr Se O\n4 4 16\ndirect\n0.655891 0.815487 0.281600 Sr\n0.155891 0.184513 0.218400 Sr\n0.344109 0.184513 0.718400 Sr\n0.844109 0.815487 0.781600 Sr\n0.663751 0.306588 0.306119 Se\n0.163751 0.693412 0.193881 Se\n0.336249 0.693412 0.693881 Se\n0.836249 0.306588 0.806119 Se\n0.714214 0.586787 0.124183 O\n0.214214 0.413213 0.375817 O\n0.285786 0.413213 0.875817 O\n0.785786 0.586787 0.624183 O\n0.606328 0.331426 0.478021 O\n0.106328 0.668574 0.021979 O\n0.393672 0.668574 0.521979 O\n0.893672 0.331426 0.978021 O\n0.994853 0.187011 0.752260 O\n0.494853 0.812989 0.747740 O\n0.005147 0.812989 0.247740 O\n0.505147 0.187011 0.252260 O\n0.662922 0.114835 0.886509 O\n0.162922 0.885165 0.613491 O\n0.337078 0.885165 0.113491 O\n0.837078 0.114835 0.386509 O\n",
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],
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"formula_full": "Sr4 Se4 O16",
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"spacegroup": 14
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{
"id": "mp-13053",
"created_at": "2022-09-04T14:48:18.765738Z",
"structure_string": "Sr4 Si4\n1.0\n4.058661 0.000000 0.000000\n0.000000 6.138727 0.000000\n0.000000 0.000000 8.906592\nSr Si\n4 4\ndirect\n0.250000 0.392006 0.680546 Sr\n0.750000 0.607994 0.319454 Sr\n0.750000 0.892006 0.819454 Sr\n0.250000 0.107994 0.180546 Sr\n0.250000 0.892916 0.531929 Si\n0.750000 0.107084 0.468071 Si\n0.750000 0.392916 0.968071 Si\n0.250000 0.607084 0.031929 Si\n",
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"density": 3.4633025734647176,
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{
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"structure_string": "Sr2 Si2\n1.0\n2.414988 -5.652197 0.000000\n2.414988 5.652197 0.000000\n0.000000 0.000000 4.077626\nSr Si\n2 2\ndirect\n0.361339 0.638661 0.250000 Sr\n0.638661 0.361339 0.750000 Sr\n0.063489 0.936511 0.250000 Si\n0.936511 0.063489 0.750000 Si\n",
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{
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"structure_string": "Sr10 Si10\n1.0\n-2.409463 6.483237 9.007551\n2.409463 -6.483237 9.007551\n2.409463 6.483237 -9.007551\nSr Si\n10 10\ndirect\n0.645961 0.811702 0.834258 Sr\n0.022556 0.188298 0.834258 Sr\n0.354039 0.188298 0.165742 Sr\n0.708650 0.000000 0.708650 Sr\n0.977444 0.811702 0.165742 Sr\n0.000000 0.000000 0.000000 Sr\n0.331047 0.831047 0.500000 Sr\n0.291350 0.000000 0.291350 Sr\n0.500000 0.500000 0.000000 Sr\n0.668953 0.168953 0.500000 Sr\n0.551026 0.371099 0.179926 Si\n0.223015 0.568073 0.654941 Si\n0.913132 0.568073 0.345059 Si\n0.141991 0.641991 0.500000 Si\n0.808827 0.628901 0.179926 Si\n0.086868 0.431927 0.654941 Si\n0.191173 0.371099 0.820074 Si\n0.448974 0.628901 0.820074 Si\n0.858009 0.358009 0.500000 Si\n0.776985 0.431927 0.345059 Si\n",
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{
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"structure_string": "Sr1 Si1\n1.0\n3.803386 0.000000 0.000000\n0.000000 3.803386 0.000000\n0.000000 0.000000 3.803386\nSr Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Si\n",
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"updated_at": "2021-11-28T01:37:27.496000Z",
"spacegroup": 221
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{
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"structure_string": "Sr4 Si8\n1.0\n6.563799 0.000000 0.000000\n0.000000 6.563799 0.000000\n0.000000 0.000000 6.563799\nSr Si\n4 8\ndirect\n0.625000 0.375000 0.875000 Sr\n0.375000 0.875000 0.625000 Sr\n0.875000 0.625000 0.375000 Sr\n0.125000 0.125000 0.125000 Sr\n0.827907 0.827907 0.827907 Si\n0.577907 0.922093 0.077907 Si\n0.922093 0.077907 0.577907 Si\n0.077907 0.577907 0.922093 Si\n0.422093 0.422093 0.422093 Si\n0.172093 0.327907 0.672093 Si\n0.672093 0.172093 0.327907 Si\n0.327907 0.672093 0.172093 Si\n",
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"formula_full": "Sr4 Si8",
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"spacegroup": 212
},
{
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"structure_string": "Sr4 Si8\n1.0\n6.563943 0.000000 0.000000\n0.000000 6.563943 0.000000\n0.000000 0.000000 6.563943\nSr Si\n4 8\ndirect\n0.875000 0.125000 0.625000 Sr\n0.125000 0.625000 0.875000 Sr\n0.625000 0.875000 0.125000 Sr\n0.375000 0.375000 0.375000 Sr\n0.672066 0.672066 0.672066 Si\n0.922066 0.577934 0.422066 Si\n0.577934 0.422066 0.922066 Si\n0.422066 0.922066 0.577934 Si\n0.077934 0.077934 0.077934 Si\n0.327934 0.172066 0.827934 Si\n0.827934 0.327934 0.172066 Si\n0.172066 0.827934 0.327934 Si\n",
"nsites": 12,
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"formula_full": "Sr4 Si8",
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}
]
}