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  1. Third-Parties
  2. MatprojStructure
  3. mp-40502

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-40502
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Cs', 'Ti', 'Co', 'O', 'F']
  • Chemical System: Co-Cs-F-O-Ti
  • Density: 3.980010810705595
  • Atomic Density: 0.06150997280851858
  • Unit Cell Volume: 585.270946421461
  • Molar Volume: 9.790511172467934
  • Full Formula: Cs4 Ti4 Co4 O4 F20
  • Reduced Formula: CsTiCoOF5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -233.92924372
  • Final energy per atom: -6.4980345477777774
  • 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.