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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197745

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-1197745
  • 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: 40
  • Number of elements: 5
  • Element list: ['Cs', 'Ti', 'P', 'O', 'F']
  • Chemical System: Cs-F-O-P-Ti
  • Density: 2.8461678751131427
  • Atomic Density: 0.06148354148990105
  • Unit Cell Volume: 650.5806111798257
  • Molar Volume: 9.794720040629352
  • Full Formula: Cs2 Ti4 P6 O20 F8
  • Reduced Formula: CsTi2P3(O5F2)2
  • Formula Anonymous: AB2C3D4E10
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -305.09090555
  • Final energy per atom: -7.62727263875
  • 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.