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  1. Third-Parties
  2. MatprojStructure
  3. mp-654165

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-654165
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Tl', 'Mo', 'C', 'N']
  • Chemical System: C-Mo-N-Tl
  • Density: 4.6511814911506155
  • Atomic Density: 0.0524433808545272
  • Unit Cell Volume: 1601.7273987923809
  • Molar Volume: 11.483128398424252
  • Full Formula: Tl16 Mo4 C32 N32
  • Reduced Formula: Tl4Mo(CN)8
  • Formula Anonymous: AB4C8D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -631.09970952
  • Final energy per atom: -7.513091780000001
  • 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.