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  1. Third-Parties
  2. MatprojStructure
  3. mp-569564

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-569564
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Th', 'Al', 'C']
  • Chemical System: Al-C-Th
  • Density: 8.318031243168864
  • Atomic Density: 0.06328544482276076
  • Unit Cell Volume: 221.21990355300255
  • Molar Volume: 9.515838557927182
  • Full Formula: Th4 Al4 C6
  • Reduced Formula: Th2Al2C3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -104.76379934
  • Final energy per atom: -7.483128524285715
  • 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.