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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113642
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'H']
  • Chemical System: Al-H-Na
  • Density: 1.6538480579403154
  • Atomic Density: 0.05861035353515935
  • Unit Cell Volume: 51.1854957196317
  • Molar Volume: 10.274875336466652
  • Full Formula: Na1 Al1 H1
  • Reduced Formula: NaAlH
  • Formula Anonymous: ABC
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm