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{
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{
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"structure_string": "Cr4 Ag1 Bi1 O14\n1.0\n-4.317636 4.317636 4.147419\n4.317636 -4.317636 4.147419\n4.317636 4.317636 -4.147419\nCr Ag Bi O\n4 1 1 14\ndirect\n0.828664 0.370677 0.782221 Cr\n0.046443 0.828664 0.457987 Cr\n0.370677 0.588456 0.542013 Cr\n0.588456 0.046443 0.217779 Cr\n0.426408 0.426408 0.000000 Ag\n0.006747 0.006747 0.000000 Bi\n0.238845 0.738845 0.500000 O\n0.738845 0.238845 0.500000 O\n0.968157 0.644074 0.880773 O\n0.087383 0.968157 0.324083 O\n0.644074 0.763300 0.675917 O\n0.763300 0.087383 0.119227 O\n0.477634 0.794178 0.179122 O\n0.298512 0.477634 0.683457 O\n0.794178 0.615055 0.316543 O\n0.615055 0.298512 0.820878 O\n0.390611 0.090418 0.096368 O\n0.294243 0.390611 0.300194 O\n0.090418 0.994049 0.699806 O\n0.994049 0.294243 0.903632 O\n",
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"elements": [
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"formula_full": "Cr4 Ag1 Bi1 O14",
"formula_reduced": "Cr4AgBiO14",
"formula_anonymous": "ABC4D14",
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"energy_per_atom": -7.26608066,
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"spacegroup": 79
},
{
"id": "mp-559885",
"created_at": "2022-09-04T14:40:29.842375Z",
"structure_string": "Cr2 Ag1 Bi1 O8\n1.0\n-2.569849 2.569849 5.913139\n2.569849 -2.569849 5.913139\n2.569849 2.569849 -5.913139\nCr Ag Bi O\n2 1 1 8\ndirect\n0.250000 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000000 Bi\n0.452010 0.589319 0.381067 O\n0.794534 0.169905 0.114771 O\n0.929058 0.547990 0.137309 O\n0.410681 0.791749 0.862691 O\n0.830095 0.944867 0.624630 O\n0.208251 0.070942 0.618933 O\n0.320237 0.205466 0.375370 O\n0.055133 0.679763 0.885229 O\n",
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],
"chemical_system": "Ag-Bi-Cr-O",
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"density_atomic": 0.07682241495224168,
"volume": 156.20440996888811,
"volume_molar": 7.839041201378262,
"formula_full": "Cr2 Ag1 Bi1 O8",
"formula_reduced": "Cr2AgBiO8",
"formula_anonymous": "ABC2D8",
"energy": -83.50856849,
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"updated_at": "2021-11-28T01:35:01.096000Z",
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},
{
"id": "mp-569939",
"created_at": "2022-09-04T14:41:10.880452Z",
"structure_string": "Ag2 Bi4 Se6 Cl2\n1.0\n4.149315 0.000000 0.000000\n0.000000 8.150123 0.000000\n0.000000 2.773238 10.965373\nAg Bi Se Cl\n2 4 6 2\ndirect\n0.750000 0.047113 0.587058 Ag\n0.250000 0.952887 0.412942 Ag\n0.250000 0.809003 0.934253 Bi\n0.750000 0.190997 0.065747 Bi\n0.750000 0.532653 0.656275 Bi\n0.250000 0.467347 0.343725 Bi\n0.250000 0.795912 0.665503 Se\n0.250000 0.955560 0.150138 Se\n0.250000 0.309768 0.587890 Se\n0.750000 0.690232 0.412110 Se\n0.750000 0.204088 0.334497 Se\n0.750000 0.044440 0.849862 Se\n0.250000 0.403361 0.902062 Cl\n0.750000 0.596639 0.097938 Cl\n",
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"elements": [
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"Se",
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],
"chemical_system": "Ag-Bi-Cl-Se",
"density": 7.148355822255247,
"density_atomic": 0.03775409438853801,
"volume": 370.82070770714455,
"volume_molar": 15.950960703823153,
"formula_full": "Ag2 Bi4 Se6 Cl2",
"formula_reduced": "AgBi2Se3Cl",
"formula_anonymous": "ABC2D3",
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"updated_at": "2021-11-28T01:35:11.799000Z",
"spacegroup": 11
},
{
"id": "mp-558368",
"created_at": "2022-09-04T14:41:54.020625Z",
"structure_string": "Ag2 Bi4 S6 Cl2\n1.0\n4.028463 0.000000 0.000000\n0.000000 7.851242 0.000000\n0.000000 2.433136 10.639980\nAg Bi S Cl\n2 4 6 2\ndirect\n0.250000 0.941144 0.406310 Ag\n0.750000 0.058856 0.593690 Ag\n0.250000 0.459176 0.345894 Bi\n0.750000 0.540824 0.654106 Bi\n0.750000 0.187004 0.072887 Bi\n0.250000 0.812996 0.927113 Bi\n0.250000 0.959508 0.145835 S\n0.750000 0.682247 0.413590 S\n0.250000 0.317753 0.586410 S\n0.750000 0.040492 0.854165 S\n0.750000 0.199953 0.338190 S\n0.250000 0.800047 0.661810 S\n0.250000 0.404303 0.897944 Cl\n0.750000 0.595697 0.102056 Cl\n",
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"elements": [
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"S",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-S",
"density": 6.488452106603947,
"density_atomic": 0.04160154703479139,
"volume": 336.52594669837146,
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"formula_full": "Ag2 Bi4 S6 Cl2",
"formula_reduced": "AgBi2S3Cl",
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]
}