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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-1198491
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 78
Number of elements: 6
Element list: ['Be', 'Ni', 'H', 'N', 'O', 'F']
Chemical System: Be-F-H-N-Ni-O
Density: 1.81211366569413
Atomic Density: 0.11414038193289455
Unit Cell Volume: 683.36901173029
Molar Volume: 5.276082538028074
Full Formula: Be4 Ni2 H40 N4 O12 F16
Reduced Formula: Be2NiH20N2(O3F4)2
Formula Anonymous: AB2C2D6E8F20
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -414.55938599
Final energy per atom: -5.314863922948718
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.