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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212659

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-1212659
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Fe', 'O']
  • Chemical System: Fe-K-Na-O
  • Density: 2.5634058096699706
  • Atomic Density: 0.06394651796862857
  • Unit Cell Volume: 828.8176070196846
  • Molar Volume: 9.417464705356423
  • Full Formula: K6 Na2 Fe7 O38
  • Reduced Formula: K6Na2Fe7O38
  • Formula Anonymous: A2B6C7D38
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -277.01408547
  • Final energy per atom: -5.226680857924528
  • 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.