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  1. Third-Parties
  2. MatprojStructure
  3. mp-780398

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-780398
  • 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: 68
  • Number of elements: 3
  • Element list: ['Al', 'Se', 'O']
  • Chemical System: Al-O-Se
  • Density: 3.4360506403993445
  • Atomic Density: 0.07285508123713748
  • Unit Cell Volume: 933.3597443761737
  • Molar Volume: 8.265917294633732
  • Full Formula: Al8 Se12 O48
  • Reduced Formula: Al2(SeO4)3
  • Formula Anonymous: A2B3C12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -427.39036909
  • Final energy per atom: -6.285152486617647
  • 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.