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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-556621
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 54
Number of elements: 7
Element list: ['Rb', 'Bi', 'As', 'H', 'C', 'S', 'N']
Chemical System: As-Bi-C-H-N-Rb-S
Density: 2.539658253233232
Atomic Density: 0.06467150070157038
Unit Cell Volume: 834.9891283516906
Molar Volume: 9.311892711117755
Full Formula: Rb1 Bi1 As6 H24 C8 S12 N2
Reduced Formula: RbBiAs6H24C8(S6N)2
Formula Anonymous: ABC2D6E8F12G24
Spacegroup Number: 148
Spacegroup Symbol: R-3H
Crystal System: trigonal
Pointgroup: -3

Thermodynamics:

Final energy: -271.97819306
Final energy per atom: -5.036633204814815
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.