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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195388

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-1195388
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'Cu', 'F']
  • Chemical System: Cs-Cu-F-Ti
  • Density: 4.051473757920147
  • Atomic Density: 0.05997211095517452
  • Unit Cell Volume: 600.2790201416755
  • Molar Volume: 10.041568762689014
  • Full Formula: Cs4 Ti2 Cu6 F24
  • Reduced Formula: Cs2TiCu3F12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -186.98685049
  • Final energy per atom: -5.194079180277778
  • 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.