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  1. Third-Parties
  2. MatprojStructure
  3. mp-530048

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-530048
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 2
  • Element list: ['Fe', 'O']
  • Chemical System: Fe-O
  • Density: 4.9074920386905925
  • Atomic Density: 0.09297306516150712
  • Unit Cell Volume: 570.0575742870437
  • Molar Volume: 6.477296138982517
  • Full Formula: Fe21 O32
  • Reduced Formula: Fe21O32
  • Formula Anonymous: A21B32
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -415.50819615
  • Final energy per atom: -7.839777285849057
  • 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.