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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88331
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Ba', 'Al', 'H', 'O']
  • Chemical System: Al-Ba-H-O
  • Density: 5.275618478048951
  • Atomic Density: 0.05673665969696651
  • Unit Cell Volume: 634.5103887376856
  • Molar Volume: 10.614196874057393
  • Full Formula: Ba12 Al4 H4 O16
  • Reduced Formula: Ba3AlHO4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm