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  1. Third-Parties
  2. MatprojStructure
  3. mp-756937

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-756937
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['V', 'Fe', 'Ni', 'O']
  • Chemical System: Fe-Ni-O-V
  • Density: 3.301635709125567
  • Atomic Density: 0.07013412374953625
  • Unit Cell Volume: 256.651099888006
  • Molar Volume: 8.586605831857737
  • Full Formula: V4 Fe1 Ni1 O12
  • Reduced Formula: V4FeNiO12
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -148.64291809
  • Final energy per atom: -8.257939893888889
  • 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.