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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-1206377
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: 7
Number of elements: 3
Element list: ['Ni', 'N', 'F']
Chemical System: F-N-Ni
Density: 2.711258698802958
Atomic Density: 0.0702475603591451
Unit Cell Volume: 99.64758867371417
Molar Volume: 8.572740076966978
Full Formula: Ni1 N2 F4
Reduced Formula: Ni(NF2)2
Formula Anonymous: AB2C4
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -27.35569599
Final energy per atom: -3.90795657
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.