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{
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"created_at": "2022-09-04T14:40:13.021651Z",
"structure_string": "Ba4 Sr4 Ce4 Nb4 O24\n1.0\n8.578204 0.000000 0.000000\n0.000000 8.591147 0.000000\n0.000000 0.000000 8.573442\nBa Sr Ce Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.749623 0.748146 0.752181 Ce\n0.250377 0.251854 0.752181 Ce\n0.250377 0.748146 0.247819 Ce\n0.749623 0.251854 0.247819 Ce\n0.249056 0.253340 0.247710 Nb\n0.750944 0.746660 0.247710 Nb\n0.750944 0.253340 0.752290 Nb\n0.249056 0.746660 0.752290 Nb\n0.015395 0.218370 0.274089 O\n0.984605 0.781630 0.274089 O\n0.984605 0.218370 0.725911 O\n0.015395 0.781630 0.725911 O\n0.283528 0.017948 0.210885 O\n0.283528 0.982052 0.789115 O\n0.716472 0.982052 0.210885 O\n0.716472 0.017948 0.789115 O\n0.212152 0.289007 0.014816 O\n0.787848 0.289007 0.985184 O\n0.212152 0.710993 0.985184 O\n0.787848 0.710993 0.014816 O\n0.483426 0.290354 0.214097 O\n0.516574 0.709646 0.214097 O\n0.516574 0.290354 0.785903 O\n0.483426 0.709646 0.785903 O\n0.214983 0.485679 0.288094 O\n0.214983 0.514321 0.711906 O\n0.785017 0.514321 0.288094 O\n0.785017 0.485679 0.711906 O\n0.280158 0.224390 0.482791 O\n0.719842 0.224390 0.517209 O\n0.280158 0.775610 0.517209 O\n0.719842 0.775610 0.482791 O\n",
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"elements": [
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"chemical_system": "Ba-Ce-Nb-O-Sr",
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"formula_full": "Ba4 Sr4 Ce4 Nb4 O24",
"formula_reduced": "BaSrCeNbO6",
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"updated_at": "2021-11-28T01:34:50.756000Z",
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},
{
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"structure_string": "Sr1 Ca1 Y1 Nb1 O6\n1.0\n-0.000000 -4.203657 -4.203657\n4.203657 -0.000000 -4.203657\n4.203657 -4.203657 -0.000000\nSr Ca Y Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Y\n0.000000 -0.000000 0.000000 Nb\n0.762109 0.237891 0.237891 O\n0.237891 0.762109 0.762109 O\n0.762109 0.237891 0.762109 O\n0.237891 0.762109 0.237891 O\n0.762109 0.762109 0.237891 O\n0.237891 0.237891 0.762109 O\n",
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"elements": [
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],
"chemical_system": "Ca-Nb-O-Sr-Y",
"density": 4.532473193958873,
"density_atomic": 0.0673113324297059,
"volume": 148.56339399376964,
"volume_molar": 8.946696704138192,
"formula_full": "Sr1 Ca1 Y1 Nb1 O6",
"formula_reduced": "SrCaYNbO6",
"formula_anonymous": "ABCDE6",
"energy": -83.2211414,
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"updated_at": "2021-11-28T01:34:53.841000Z",
"spacegroup": 216
}
]
}