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  1. Third-Parties
  2. MatprojStructure
  3. mp-27379

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-27379
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Te', 'As', 'F']
  • Chemical System: As-F-Te
  • Density: 3.945185346436314
  • Atomic Density: 0.055899703905039046
  • Unit Cell Volume: 1502.6913227071293
  • Molar Volume: 10.773117457348713
  • Full Formula: Te12 As12 F60
  • Reduced Formula: TeAsF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -391.89311542
  • Final energy per atom: -4.665394231190477
  • 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.