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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-555921
Created at: Sept. 4, 2022, 2:47 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', 'Cl', 'O']
Chemical System: Au-C-Cl-H-O-P
Density: 2.715110434253367
Atomic Density: 0.08255765573895145
Unit Cell Volume: 1744.2355734437297
Molar Volume: 7.29446676519268
Full Formula: P8 H72 Au8 C24 Cl8 O24
Reduced Formula: PH9AuC3ClO3
Formula Anonymous: ABCD3E3F9
Spacegroup Number: 61
Spacegroup Symbol: Pbca
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -766.48237469
Final energy per atom: -5.322794268680556
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.