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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204577

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-1204577
  • 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: 312
  • Number of elements: 3
  • Element list: ['Te', 'C', 'F']
  • Chemical System: C-F-Te
  • Density: 2.4965263969418325
  • Atomic Density: 0.05965498234306339
  • Unit Cell Volume: 5230.074467305227
  • Molar Volume: 10.094950201087851
  • Full Formula: Te24 C96 F192
  • Reduced Formula: Te(CF2)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 228
  • Spacegroup Symbol: Fd-3c1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -1742.14255441
  • Final energy per atom: -5.58379023849359
  • 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.