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  1. Third-Parties
  2. MatprojStructure
  3. mp-727170

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-727170
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['K', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-K-O
  • Density: 2.7450504455157785
  • Atomic Density: 0.06266701067209432
  • Unit Cell Volume: 414.89133949671265
  • Molar Volume: 9.609746332900581
  • Full Formula: K2 Cr4 Fe2 O18
  • Reduced Formula: KCr2FeO9
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -185.63089978
  • Final energy per atom: -7.1396499915384615
  • 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.