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  1. Third-Parties
  2. MatprojStructure
  3. mp-561428

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-561428
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ni', 'F']
  • Chemical System: F-Ni
  • Density: 4.139246693160606
  • Atomic Density: 0.08618696800446977
  • Unit Cell Volume: 92.82145764293634
  • Molar Volume: 6.987298543426756
  • Full Formula: Ni2 F6
  • Reduced Formula: NiF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -37.68684512
  • Final energy per atom: -4.71085564
  • 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.