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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55730
  • 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: 20
  • Number of elements: 3
  • Element list: ['Li', 'Be', 'H']
  • Chemical System: Be-H-Li
  • Density: 1.0091200331652015
  • Atomic Density: 0.16011651591639225
  • Unit Cell Volume: 124.9090381809417
  • Molar Volume: 3.761099050609227
  • Full Formula: Li4 Be4 H12
  • Reduced Formula: LiBeH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm