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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-559063
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: 34
Number of elements: 6
Element list: ['Cs', 'B', 'C', 'N', 'O', 'F']
Chemical System: B-C-Cs-F-N-O
Density: 2.5958750993762862
Atomic Density: 0.06698506405205928
Unit Cell Volume: 507.57583770579015
Molar Volume: 8.990273944232893
Full Formula: Cs2 B2 C6 N2 O4 F18
Reduced Formula: CsBC3NO2F9
Formula Anonymous: ABCD2E3F9
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -201.83330636
Final energy per atom: -5.936273716470588
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.