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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-734296
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 34
Number of elements: 6
Element list: ['K', 'Au', 'C', 'I', 'N', 'O']
Chemical System: Au-C-I-K-N-O
Density: 3.5492832468100852
Atomic Density: 0.042097148303265476
Unit Cell Volume: 807.6556576960016
Molar Volume: 14.305341341928528
Full Formula: K5 Au5 C10 I2 N10 O2
Reduced Formula: K5Au5C10I2(N5O)2
Formula Anonymous: A2B2C5D5E10F10
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -161.27010743
Final energy per atom: -4.74323845382353
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.