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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-603254
Created at: Sept. 4, 2022, 2:48 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 144
Number of elements: 6
Element list: ['P', 'H', 'Au', 'C', 'S', 'Cl']
Chemical System: Au-C-Cl-H-P-S
Density: 2.6964087008566255
Atomic Density: 0.07222451350671122
Unit Cell Volume: 1993.782900131536
Molar Volume: 8.338084214911898
Full Formula: P8 H72 Au8 C24 S24 Cl8
Reduced Formula: PH9AuC3S3Cl
Formula Anonymous: ABCD3E3F9
Spacegroup Number: 61
Spacegroup Symbol: Pbca
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -694.64993394
Final energy per atom: -4.823957874583333
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.