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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-776274
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 56
Number of elements: 5
Element list: ['Na', 'Bi', 'As', 'C', 'O']
Chemical System: As-Bi-C-Na-O
Density: 3.7271292912472123
Atomic Density: 0.06892124426294094
Unit Cell Volume: 812.5216048966673
Molar Volume: 8.737713348622922
Full Formula: Na10 Bi4 As2 C8 O32
Reduced Formula: Na5Bi2As(CO4)4
Formula Anonymous: AB2C4D5E16
Spacegroup Number: 22
Spacegroup Symbol: F222
Crystal System: orthorhombic
Pointgroup: 222

Thermodynamics:

Final energy: -374.47559813
Final energy per atom: -6.687064252321428
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.