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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202918

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-1202918
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Al', 'Br', 'N']
  • Chemical System: Al-Br-N
  • Density: 2.5009104372714486
  • Atomic Density: 0.026827256652368434
  • Unit Cell Volume: 2982.0417732849783
  • Molar Volume: 22.447844138652684
  • Full Formula: Al16 Br48 N16
  • Reduced Formula: AlBr3N
  • Formula Anonymous: ABC3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -265.14511957
  • Final energy per atom: -3.3143139946250004
  • 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.