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  1. Third-Parties
  2. MatprojStructure
  3. mp-567734

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-567734
  • 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: 48
  • Number of elements: 4
  • Element list: ['Al', 'As', 'Se', 'Cl']
  • Chemical System: Al-As-Cl-Se
  • Density: 2.895895612638831
  • Atomic Density: 0.029500194848532214
  • Unit Cell Volume: 1627.1078969632042
  • Molar Volume: 20.41390164004165
  • Full Formula: Al4 As12 Se16 Cl16
  • Reduced Formula: AlAs3(SeCl)4
  • Formula Anonymous: AB3C4D4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -205.99664318000004
  • Final energy per atom: -4.291596732916667
  • 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.