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{
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{
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"created_at": "2022-09-04T14:47:10.479337Z",
"structure_string": "Li4 Mn3 Nb1 O8\n1.0\n3.103554 5.214466 0.000000\n-3.103554 5.214466 0.000000\n0.000000 3.355497 5.052998\nLi Mn Nb O\n4 3 1 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Nb\n0.256866 0.256866 0.274605 O\n0.763982 0.763982 0.229332 O\n0.230143 0.766375 0.762218 O\n0.743134 0.743134 0.725395 O\n0.766375 0.230143 0.762218 O\n0.236018 0.236018 0.770668 O\n0.769857 0.233625 0.237782 O\n0.233625 0.769857 0.237782 O\n",
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{
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"structure_string": "K1 Sr1 Pr1 Nb1 O6\n1.0\n0.000000 -4.358558 -4.358558\n4.358558 -0.000000 -4.358558\n4.358558 -4.358558 0.000000\nK Sr Pr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 -0.000000 -0.000000 Nb\n0.769215 0.230785 0.230785 O\n0.230785 0.769215 0.769215 O\n0.769215 0.230785 0.769215 O\n0.230785 0.769215 0.230785 O\n0.769215 0.769215 0.230785 O\n0.230785 0.230785 0.769215 O\n",
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{
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{
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{
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"structure_string": "Nb4 Ge1 S8\n1.0\n1.685046 -2.918586 0.000000\n1.685046 2.918586 0.000000\n0.000000 0.000000 28.671825\nNb Ge S\n4 1 8\ndirect\n0.333333 0.666667 0.493487 Nb\n0.666667 0.333333 0.998779 Nb\n0.333333 0.666667 0.234751 Nb\n0.666667 0.333333 0.744670 Nb\n0.333333 0.666667 0.616515 Ge\n0.666667 0.333333 0.548949 S\n0.333333 0.666667 0.053522 S\n0.000000 0.000000 0.179944 S\n0.000000 0.000000 0.687942 S\n0.000000 0.000000 0.289656 S\n0.000000 0.000000 0.798324 S\n0.333333 0.666667 0.943918 S\n0.666667 0.333333 0.438543 S\n",
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{
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"structure_string": "Ga2 Ag2 Se4\n1.0\n-3.029982 3.029982 5.635071\n3.029982 -3.029982 5.635071\n3.029982 3.029982 -5.635071\nGa Ag Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.875000 0.845527 0.470527 Se\n0.154473 0.625000 0.029473 Se\n0.375000 0.404473 0.529473 Se\n0.595527 0.125000 0.970527 Se\n",
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],
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"formula_full": "Mn14 Fe6 O40",
"formula_reduced": "Mn7Fe3O20",
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"updated_at": "2021-11-28T01:37:57.015000Z",
"spacegroup": 12
},
{
"id": "mp-1188815",
"created_at": "2022-09-04T14:47:10.447097Z",
"structure_string": "U4 Co2 S10\n1.0\n2.998313 7.151316 0.000000\n-2.998313 7.151316 0.000000\n0.000000 0.840075 6.870074\nU Co S\n4 2 10\ndirect\n0.105148 0.678694 0.581924 U\n0.321306 0.894852 0.918076 U\n0.894852 0.321306 0.418076 U\n0.678694 0.105148 0.081924 U\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.910407 0.089593 0.750000 S\n0.089593 0.910407 0.250000 S\n0.289062 0.529557 0.925387 S\n0.470443 0.710938 0.574613 S\n0.710938 0.470443 0.074613 S\n0.529557 0.289062 0.425387 S\n0.142795 0.299949 0.692232 S\n0.700051 0.857205 0.807768 S\n0.857205 0.700051 0.307768 S\n0.299949 0.142795 0.192232 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Co",
"S"
],
"chemical_system": "Co-S-U",
"density": 7.838031025427926,
"density_atomic": 0.05430822833290964,
"volume": 294.61465584772793,
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"formula_full": "U4 Co2 S10",
"formula_reduced": "U2CoS5",
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"updated_at": "2021-11-28T01:37:52.766000Z",
"spacegroup": 15
}
]
}