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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229334

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-1229334
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 3
  • Element list: ['Al', 'Se', 'O']
  • Chemical System: Al-O-Se
  • Density: 1.763786818132868
  • Atomic Density: 0.04744261311341961
  • Unit Cell Volume: 1391.1544004166847
  • Molar Volume: 12.693526694246483
  • Full Formula: Al4 Se6 O56
  • Reduced Formula: Al2Se3O28
  • Formula Anonymous: A2B3C28
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -327.36607623000003
  • Final energy per atom: -4.96009206409091
  • 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.