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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-941444
  • Created at: Sept. 4, 2022, 3:39 p.m.
  • Last updated at: Sept. 4, 2022, 3:39 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ac', 'Al', 'Ba']
  • Chemical System: Ac-Al-Ba
  • Density: 5.060226923614844
  • Atomic Density: 0.023362688888241893
  • Unit Cell Volume: 128.40987672056264
  • Molar Volume: 25.776745086182512
  • Full Formula: Ba1 Ac1 Al1
  • Reduced Formula: BaAcAl
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m