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  1. Third-Parties
  2. MatprojStructure
  3. mp-505040

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-505040
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Cs', 'K', 'Fe', 'O']
  • Chemical System: Cs-Fe-K-O
  • Density: 3.517397583912259
  • Atomic Density: 0.04485639587546793
  • Unit Cell Volume: 289.81374330855976
  • Molar Volume: 13.425378126051193
  • Full Formula: Cs2 K4 Fe2 O5
  • Reduced Formula: Cs2K4Fe2O5
  • Formula Anonymous: A2B2C4D5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -67.15747639
  • Final energy per atom: -5.165959722307692
  • 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.