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  1. Third-Parties
  2. MatprojStructure
  3. mp-504863

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-504863
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Fe', 'O']
  • Chemical System: Fe-K-Na-O
  • Density: 2.8807399915552736
  • Atomic Density: 0.0642795281152067
  • Unit Cell Volume: 435.5974728037246
  • Molar Volume: 9.368676056872504
  • Full Formula: K4 Na8 Fe4 O12
  • Reduced Formula: KNa2FeO3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -155.60859068
  • Final energy per atom: -5.557449667142857
  • 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.