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"chemical_system": "Ag-Pd-Tl",
"density": 12.157026788961623,
"density_atomic": 0.05577033836694593,
"volume": 71.72271349120463,
"volume_molar": 10.798106908329633,
"formula_full": "Tl1 Ag1 Pd2",
"formula_reduced": "TlAgPd2",
"formula_anonymous": "ABC2",
"energy": -16.18017541,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -16.18017541,
"band_gap": 0.0,
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"total_magnetization": 0.0001631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.373000Z",
"spacegroup": 225
},
{
"id": "mp-1189886",
"created_at": "2022-09-04T14:45:06.577674Z",
"structure_string": "H8 C4 N2 O4\n1.0\n5.315982 4.080922 0.000000\n-5.315982 4.080922 0.000000\n0.000000 1.320138 4.107010\nH C N O\n8 4 2 4\ndirect\n0.865468 0.322538 0.345458 H\n0.322538 0.865468 0.345458 H\n0.134532 0.677462 0.654542 H\n0.677462 0.134532 0.654542 H\n0.720458 0.401288 0.633116 H\n0.401288 0.720458 0.633116 H\n0.279542 0.598712 0.366884 H\n0.598712 0.279542 0.366884 H\n0.780988 0.780988 0.853309 C\n0.219012 0.219012 0.146691 C\n0.934939 0.934939 0.959161 C\n0.065061 0.065061 0.040839 C\n0.714793 0.285207 0.500000 N\n0.285207 0.714793 0.500000 N\n0.615107 0.829736 0.811725 O\n0.829736 0.615107 0.811725 O\n0.384893 0.170264 0.188275 O\n0.170264 0.384893 0.188275 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.380248841020904,
"density_atomic": 0.10101246129209593,
"volume": 178.19583613500637,
"volume_molar": 5.961780044727237,
"formula_full": "H8 C4 N2 O4",
"formula_reduced": "H4C2NO2",
"formula_anonymous": "AB2C2D4",
"energy": -114.00179416,
"energy_per_atom": -6.333433008888889,
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"total_magnetization": 0.0001631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.821000Z",
"spacegroup": 12
}
]
}