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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-1190989
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 21
Number of elements: 6
Element list: ['Cu', 'Au', 'C', 'N', 'Cl', 'O']
Chemical System: Au-C-Cl-Cu-N-O
Density: 3.0879893518914616
Atomic Density: 0.048854563118551755
Unit Cell Volume: 429.8472580553193
Molar Volume: 12.326669968138935
Full Formula: Cu1 Au2 C4 N4 Cl4 O6
Reduced Formula: CuAu2C4N4(Cl2O3)2
Formula Anonymous: AB2C4D4E4F6
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -117.19276816
Final energy per atom: -5.580608007619047
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.