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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221970

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-1221970
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Mn', 'Nb', 'Fe', 'O']
  • Chemical System: Fe-Mn-Nb-O
  • Density: 5.066335133025324
  • Atomic Density: 0.08148750221302517
  • Unit Cell Volume: 441.7855379330263
  • Molar Volume: 7.390263042125011
  • Full Formula: Mn3 Nb8 Fe1 O24
  • Reduced Formula: Mn3Nb8FeO24
  • Formula Anonymous: AB3C8D24
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -337.69855184
  • Final energy per atom: -9.380515328888889
  • 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.