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{
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{
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"structure_string": "Ag2 S2 O8\n1.0\n4.798142 0.000000 0.000000\n2.237256 4.349777 0.000000\n2.055095 0.593531 8.104758\nAg S O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.843660 0.616017 0.748951 S\n0.156340 0.383983 0.251049 S\n0.749142 0.813880 0.886639 O\n0.085378 0.295289 0.782255 O\n0.536439 0.621075 0.731640 O\n0.979557 0.742401 0.590084 O\n0.020443 0.257599 0.409916 O\n0.463561 0.378925 0.268360 O\n0.914622 0.704711 0.217745 O\n0.250858 0.186120 0.113361 O\n",
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{
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"structure_string": "Ce8 P8 S8\n1.0\n5.471241 0.000000 0.000000\n0.000000 5.569201 0.000000\n0.000000 0.000000 16.573750\nCe P S\n8 8 8\ndirect\n0.750000 0.019272 0.354277 Ce\n0.250000 0.480728 0.854277 Ce\n0.750000 0.519272 0.145723 Ce\n0.250000 0.980728 0.645723 Ce\n0.750000 0.483020 0.633939 Ce\n0.250000 0.016980 0.133939 Ce\n0.750000 0.983020 0.866061 Ce\n0.250000 0.516980 0.366061 Ce\n0.532593 0.298534 0.001936 P\n0.467407 0.201466 0.501936 P\n0.967407 0.798534 0.498064 P\n0.032593 0.701466 0.998064 P\n0.467407 0.701466 0.998064 P\n0.532593 0.798534 0.498064 P\n0.032593 0.201466 0.501936 P\n0.967407 0.298534 0.001936 P\n0.750000 0.016138 0.178869 S\n0.250000 0.483862 0.678869 S\n0.750000 0.516138 0.321131 S\n0.250000 0.983862 0.821131 S\n0.750000 0.484213 0.813031 S\n0.250000 0.015787 0.313031 S\n0.750000 0.984213 0.686969 S\n0.250000 0.515787 0.186969 S\n",
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{
"id": "mp-1006368",
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"structure_string": "Ce8 Sn4 Se16\n1.0\n4.299765 0.000000 0.000000\n0.000000 12.274050 0.000000\n0.000000 0.000000 15.316921\nCe Sn Se\n8 4 16\ndirect\n0.250000 0.603858 0.096037 Ce\n0.750000 0.896142 0.596037 Ce\n0.250000 0.062126 0.897108 Ce\n0.750000 0.437874 0.397108 Ce\n0.250000 0.562126 0.602892 Ce\n0.750000 0.937874 0.102892 Ce\n0.750000 0.396142 0.903963 Ce\n0.250000 0.103858 0.403963 Ce\n0.750000 0.263526 0.661872 Sn\n0.250000 0.236474 0.161872 Sn\n0.750000 0.763526 0.838128 Sn\n0.250000 0.736474 0.338128 Sn\n0.750000 0.942895 0.409623 Se\n0.250000 0.557105 0.909623 Se\n0.750000 0.442895 0.090377 Se\n0.250000 0.057105 0.590377 Se\n0.750000 0.482278 0.712021 Se\n0.250000 0.017722 0.212021 Se\n0.750000 0.982278 0.787979 Se\n0.250000 0.517722 0.287979 Se\n0.750000 0.658195 0.488460 Se\n0.250000 0.841805 0.988460 Se\n0.750000 0.158195 0.011540 Se\n0.250000 0.341805 0.511540 Se\n0.750000 0.733941 0.196208 Se\n0.250000 0.766059 0.696208 Se\n0.750000 0.233941 0.303792 Se\n0.250000 0.266059 0.803792 Se\n",
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{
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"structure_string": "Ce8 Hf4 Se20\n1.0\n7.707539 0.000000 0.000000\n0.000000 8.449925 0.000000\n0.000000 0.000000 11.971076\nCe Hf Se\n8 4 20\ndirect\n0.551908 0.501467 0.673709 Ce\n0.051908 0.498533 0.826291 Ce\n0.948092 0.998533 0.173709 Ce\n0.448092 0.001467 0.326291 Ce\n0.448092 0.498533 0.326291 Ce\n0.948092 0.501467 0.173709 Ce\n0.051908 0.001467 0.826291 Ce\n0.551908 0.998533 0.673709 Ce\n0.075331 0.250000 0.509105 Hf\n0.575331 0.750000 0.990895 Hf\n0.424669 0.250000 0.009105 Hf\n0.924669 0.750000 0.490895 Hf\n0.334795 0.250000 0.791037 Se\n0.834795 0.750000 0.708963 Se\n0.165205 0.250000 0.291037 Se\n0.665205 0.750000 0.208963 Se\n0.054811 0.250000 0.005723 Se\n0.554811 0.750000 0.494277 Se\n0.445189 0.250000 0.505723 Se\n0.945189 0.750000 0.994277 Se\n0.853330 0.250000 0.689810 Se\n0.353330 0.750000 0.810190 Se\n0.646670 0.250000 0.189810 Se\n0.146670 0.750000 0.310190 Se\n0.676370 0.462300 0.922975 Se\n0.176370 0.537700 0.577025 Se\n0.823630 0.037700 0.422975 Se\n0.323630 0.962300 0.077025 Se\n0.323630 0.537700 0.077025 Se\n0.823630 0.462300 0.422975 Se\n0.176370 0.962300 0.577025 Se\n0.676370 0.037700 0.922975 Se\n",
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"density_atomic": 0.042082553926912104,
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"formula_full": "Ce2 Y6 S12",
"formula_reduced": "Ce(YS2)3",
"formula_anonymous": "AB3C6",
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"updated_at": "2021-11-28T01:35:03.938000Z",
"spacegroup": 11
},
{
"id": "mp-1006323",
"created_at": "2022-09-04T14:41:09.872958Z",
"structure_string": "Ce2 Lu6\n1.0\n3.500176 -6.062483 0.000000\n3.500176 6.062483 0.000000\n0.000000 0.000000 5.573336\nCe Lu\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.166960 0.333920 0.250000 Lu\n0.666080 0.833040 0.250000 Lu\n0.166960 0.833040 0.250000 Lu\n0.833040 0.666080 0.750000 Lu\n0.333920 0.166960 0.750000 Lu\n0.833040 0.166960 0.750000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Lu"
],
"chemical_system": "Ce-Lu",
"density": 9.337405129700615,
"density_atomic": 0.033822394340978015,
"volume": 236.52967673868918,
"volume_molar": 17.80518759047105,
"formula_full": "Ce2 Lu6",
"formula_reduced": "CeLu3",
"formula_anonymous": "AB3",
"energy": -38.5669013,
"energy_per_atom": -4.8208626625,
"energy_above_hull": null,
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"energy_uncorrected": -38.5669013,
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"updated_at": "2021-11-28T01:35:11.247000Z",
"spacegroup": 194
}
]
}