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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-1210975
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 72
Number of elements: 5
Element list: ['Na', 'Be', 'H', 'C', 'O']
Chemical System: Be-C-H-Na-O
Density: 1.7533646574513426
Atomic Density: 0.07601416568411684
Unit Cell Volume: 947.1918734095163
Molar Volume: 7.922392761666957
Full Formula: Na8 Be8 H8 C8 O40
Reduced Formula: NaBeHCO5
Formula Anonymous: ABCDE5
Spacegroup Number: 124
Spacegroup Symbol: P4/mcc
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -461.72779735
Final energy per atom: -6.412886074305556
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.