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  1. Third-Parties
  2. MatprojStructure
  3. mp-22935

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-22935
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Cs', 'Br', 'F']
  • Chemical System: Br-Cs-F
  • Density: 3.9465023172086715
  • Atomic Density: 0.0307578780648188
  • Unit Cell Volume: 195.07197432006424
  • Molar Volume: 19.579181461442204
  • Full Formula: Cs2 Br2 F2
  • Reduced Formula: CsBrF
  • Formula Anonymous: ABC
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -20.63589886
  • Final energy per atom: -3.439316476666667
  • 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.