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  1. Third-Parties
  2. MatprojStructure
  3. mp-567060

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-567060
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Al', 'Se', 'Br', 'N']
  • Chemical System: Al-Br-N-Se
  • Density: 3.0064336843672343
  • Atomic Density: 0.030203783842657424
  • Unit Cell Volume: 794.6024287892137
  • Molar Volume: 19.93836531002717
  • Full Formula: Al4 Se4 Br12 N4
  • Reduced Formula: AlSeBr3N
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -103.69136672
  • Final energy per atom: -4.320473613333333
  • 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.