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{
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{
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"structure_string": "Ag2 Sb2 O24\n1.0\n7.666245 0.000000 0.000000\n0.000000 7.666245 0.000000\n0.000000 0.000000 7.435820\nAg Sb O\n2 2 24\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.627256 0.147203 0.990739 O\n0.372744 0.852797 0.990739 O\n0.647203 0.872744 0.490739 O\n0.872744 0.352797 0.509261 O\n0.352797 0.127256 0.490739 O\n0.127256 0.647203 0.509261 O\n0.852797 0.627256 0.009261 O\n0.147203 0.372744 0.009261 O\n0.283237 0.976350 0.050858 O\n0.716763 0.023650 0.050858 O\n0.476350 0.216763 0.550858 O\n0.216763 0.523650 0.449142 O\n0.523650 0.783237 0.550858 O\n0.783237 0.476350 0.449142 O\n0.023650 0.283237 0.949142 O\n0.976350 0.716763 0.949142 O\n0.177537 0.080526 0.662469 O\n0.822463 0.919474 0.662469 O\n0.580526 0.322463 0.162469 O\n0.322463 0.419474 0.837531 O\n0.419474 0.677537 0.162469 O\n0.677537 0.580526 0.837531 O\n0.919474 0.177537 0.337531 O\n0.080526 0.822463 0.337531 O\n",
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{
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"structure_string": "Ag4 Sb4 Pb4 S12\n1.0\n12.902129 0.000000 0.000000\n0.000000 6.070778 0.000000\n0.000000 0.137051 7.696653\nAg Sb Pb S\n4 4 4 12\ndirect\n0.739503 0.782043 0.877150 Ag\n0.260497 0.217957 0.122850 Ag\n0.239503 0.217957 0.622850 Ag\n0.760497 0.782043 0.377150 Ag\n0.910694 0.267135 0.636430 Sb\n0.410694 0.732865 0.863570 Sb\n0.089306 0.732865 0.363570 Sb\n0.589306 0.267135 0.136430 Sb\n0.584585 0.255700 0.646785 Pb\n0.915415 0.255700 0.146785 Pb\n0.084585 0.744300 0.853215 Pb\n0.415415 0.744300 0.353215 Pb\n0.557339 0.734924 0.649482 S\n0.626219 0.866957 0.137531 S\n0.942661 0.734924 0.149482 S\n0.442661 0.265076 0.350518 S\n0.873781 0.866957 0.637531 S\n0.373781 0.133043 0.862469 S\n0.057339 0.265076 0.850518 S\n0.278524 0.648710 0.638378 S\n0.221476 0.648710 0.138378 S\n0.778524 0.351290 0.861622 S\n0.126219 0.133043 0.362469 S\n0.721476 0.351290 0.361622 S\n",
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"elements": [
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"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 5.872831798699933,
"density_atomic": 0.03981104735831056,
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"volume_molar": 15.126808159049546,
"formula_full": "Ag4 Sb4 Pb4 S12",
"formula_reduced": "AgSbPbS3",
"formula_anonymous": "ABCD3",
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"energy_per_atom": -4.386844418333333,
"energy_above_hull": null,
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"energy_uncorrected": -99.24826604,
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"updated_at": "2021-11-28T01:38:03.510000Z",
"spacegroup": 14
},
{
"id": "mp-1229064",
"created_at": "2022-09-04T14:45:26.577805Z",
"structure_string": "Ag1 Sb1 Pb1 S3\n1.0\n-2.018544 2.869292 6.080628\n2.018544 -2.869292 6.080628\n2.018544 2.869292 -6.080628\nAg Sb Pb S\n1 1 1 3\ndirect\n0.000879 0.000879 0.000000 Ag\n0.332939 0.332939 0.000000 Sb\n0.668766 0.668766 0.000000 Pb\n0.484638 0.984638 0.500000 S\n0.171756 0.671756 0.500000 S\n0.841021 0.341021 0.500000 S\n",
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],
"chemical_system": "Ag-Pb-S-Sb",
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"volume": 140.8709340905063,
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"formula_full": "Ag1 Sb1 Pb1 S3",
"formula_reduced": "AgSbPbS3",
"formula_anonymous": "ABCD3",
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"updated_at": "2021-11-28T01:36:55.691000Z",
"spacegroup": 44
},
{
"id": "mp-605863",
"created_at": "2022-09-04T14:44:04.952449Z",
"structure_string": "Ag4 Sb4 Pb4 S12\n1.0\n12.184347 0.000000 0.000000\n0.000000 5.855225 0.000000\n0.000000 0.258676 8.193895\nAg Sb Pb S\n4 4 4 12\ndirect\n0.909185 0.731733 0.397851 Ag\n0.090815 0.268267 0.602149 Ag\n0.590815 0.731733 0.897851 Ag\n0.409185 0.268267 0.102149 Ag\n0.250778 0.749249 0.389272 Sb\n0.249222 0.749249 0.889272 Sb\n0.749222 0.250751 0.610728 Sb\n0.750778 0.250751 0.110728 Sb\n0.420274 0.232429 0.639469 Pb\n0.579726 0.767571 0.360531 Pb\n0.920274 0.767571 0.860531 Pb\n0.079726 0.232429 0.139469 Pb\n0.088244 0.735068 0.583485 S\n0.595493 0.271507 0.389113 S\n0.226340 0.181047 0.856079 S\n0.411756 0.735068 0.083485 S\n0.404507 0.728493 0.610887 S\n0.095493 0.728493 0.110887 S\n0.588244 0.264932 0.916515 S\n0.773660 0.818953 0.143921 S\n0.911756 0.264932 0.416515 S\n0.726340 0.818953 0.643921 S\n0.273660 0.181047 0.356079 S\n0.904507 0.271507 0.889113 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Pb",
"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 6.05646147885682,
"density_atomic": 0.04105584546315932,
"volume": 584.5696204584544,
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"formula_full": "Ag4 Sb4 Pb4 S12",
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"updated_at": "2021-11-28T01:36:27.994000Z",
"spacegroup": 14
}
]
}