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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214871

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-1214871
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Al', 'Te', 'Br']
  • Chemical System: Al-Br-Te
  • Density: 3.8365597342697506
  • Atomic Density: 0.029749017036554533
  • Unit Cell Volume: 941.207568828059
  • Molar Volume: 20.243158799499856
  • Full Formula: Al12 Te12 Br4
  • Reduced Formula: Al3Te3Br
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -107.05760043
  • Final energy per atom: -3.823485729642857
  • 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.