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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-21063
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Al', 'Ca', 'H']
  • Chemical System: Al-Ca-H
  • Density: 1.3412515168934918
  • Atomic Density: 0.08701788380686329
  • Unit Cell Volume: 1011.2863718372711
  • Molar Volume: 6.9205782725838025
  • Full Formula: Ca8 Al16 H64
  • Reduced Formula: Ca(AlH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm