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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180836

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-1180836
  • 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: 20
  • Number of elements: 4
  • Element list: ['K', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-K-O
  • Density: 3.2871203388863246
  • Atomic Density: 0.07405487547133548
  • Unit Cell Volume: 270.0699970488969
  • Molar Volume: 8.131997686406208
  • Full Formula: K1 Cr2 Fe3 O14
  • Reduced Formula: KCr2Fe3O14
  • Formula Anonymous: AB2C3D14
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -139.83413876
  • Final energy per atom: -6.991706938
  • 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.