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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-696650
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 40
Number of elements: 5
Element list: ['K', 'H', 'Au', 'Cl', 'O']
Chemical System: Au-Cl-H-K-O
Density: 3.1911773505844527
Atomic Density: 0.04665723112950947
Unit Cell Volume: 857.3161979751741
Molar Volume: 12.907197050086312
Full Formula: K4 H8 Au4 Cl16 O8
Reduced Formula: KH2Au(Cl2O)2
Formula Anonymous: ABC2D2E4
Spacegroup Number: 60
Spacegroup Symbol: Pbcn
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -150.77452051999998
Final energy per atom: -3.7693630129999995
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.