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  1. Third-Parties
  2. MatprojStructure
  3. mp-694946

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-694946
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Cs', 'Co', 'W', 'O', 'F']
  • Chemical System: Co-Cs-F-O-W
  • Density: 5.367325453851657
  • Atomic Density: 0.06052049430732003
  • Unit Cell Volume: 297.41991049506146
  • Molar Volume: 9.950580921265896
  • Full Formula: Cs2 Co2 W2 O6 F6
  • Reduced Formula: CsCoW(OF)3
  • Formula Anonymous: ABCD3E3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -125.77194805
  • Final energy per atom: -6.987330447222223
  • 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.