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  1. Third-Parties
  2. MatprojStructure
  3. mp-690560

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-690560
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Ti', 'Tl', 'W', 'O', 'F']
  • Chemical System: F-O-Ti-Tl-W
  • Density: 6.292805568978294
  • Atomic Density: 0.06374034033865354
  • Unit Cell Volume: 282.39573093531794
  • Molar Volume: 9.447926898419839
  • Full Formula: Ti2 Tl2 W2 O10 F2
  • Reduced Formula: TiTlWO5F
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -146.31805733
  • Final energy per atom: -8.128780962777777
  • 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.