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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98880
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'H']
  • Chemical System: Al-Ba-H
  • Density: 3.405053712328238
  • Atomic Density: 0.08476024934965735
  • Unit Cell Volume: 330.34353030856425
  • Molar Volume: 7.104911566691072
  • Full Formula: Ba4 Al4 H20
  • Reduced Formula: BaAlH5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2