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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105454
  • 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: 6
  • Number of elements: 3
  • Element list: ['Li', 'B', 'H']
  • Chemical System: B-H-Li
  • Density: 0.7786458899287863
  • Atomic Density: 0.12915442934462393
  • Unit Cell Volume: 46.45601417191931
  • Molar Volume: 4.662744274864215
  • Full Formula: Li1 B1 H4
  • Reduced Formula: LiBH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m