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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234982

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-1234982
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Mg', 'Al', 'Bi', 'O']
  • Chemical System: Al-Bi-Mg-O
  • Density: 8.052257398472467
  • Atomic Density: 0.05726639831220511
  • Unit Cell Volume: 593.7164026736709
  • Molar Volume: 10.516011024769666
  • Full Formula: Mg1 Al1 Bi12 O20
  • Reduced Formula: MgAl(Bi3O5)4
  • Formula Anonymous: ABC12D20
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -209.23763224
  • Final energy per atom: -6.154048007058824
  • 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.