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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208334

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-1208334
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Ti', 'Te', 'O', 'F']
  • Chemical System: F-O-Te-Ti
  • Density: 4.063701757817346
  • Atomic Density: 0.06514462489500474
  • Unit Cell Volume: 859.6257955319666
  • Molar Volume: 9.244263467179431
  • Full Formula: Ti8 Te8 O20 F20
  • Reduced Formula: Ti2Te2(OF)5
  • Formula Anonymous: A2B2C5D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -378.61628015
  • Final energy per atom: -6.761005002678572
  • 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.