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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197107

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-1197107
  • 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: 84
  • Number of elements: 3
  • Element list: ['Cs', 'Ti', 'F']
  • Chemical System: Cs-F-Ti
  • Density: 2.803253982753103
  • Atomic Density: 0.06204355604120967
  • Unit Cell Volume: 1353.8875809150388
  • Molar Volume: 9.706311411293157
  • Full Formula: Cs2 Ti16 F66
  • Reduced Formula: CsTi8F33
  • Formula Anonymous: AB8C33
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -564.73591803
  • Final energy per atom: -6.7230466432142855
  • 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.