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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225991

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-1225991
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Cs', 'Cr', 'O', 'F']
  • Chemical System: Cr-Cs-F-O
  • Density: 3.194571819728081
  • Atomic Density: 0.04582366512055525
  • Unit Cell Volume: 261.87342213744324
  • Molar Volume: 13.141988411788194
  • Full Formula: Cs2 Cr2 O6 F2
  • Reduced Formula: CsCrO3F
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -79.93764027
  • Final energy per atom: -6.6614700225000005
  • 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.