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  1. Third-Parties
  2. MatprojStructure
  3. mp-554085

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-554085
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 3
  • Element list: ['Te', 'C', 'F']
  • Chemical System: C-F-Te
  • Density: 2.937542477453521
  • Atomic Density: 0.06409344821723463
  • Unit Cell Volume: 1029.746437986975
  • Molar Volume: 9.395875752524505
  • Full Formula: Te6 C12 F48
  • Reduced Formula: Te(CF4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -344.76998175
  • Final energy per atom: -5.223787602272727
  • 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.