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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86723
  • 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: 16
  • Number of elements: 3
  • Element list: ['Li', 'B', 'H']
  • Chemical System: B-H-Li
  • Density: 0.9606264526447305
  • Atomic Density: 0.11705914276301198
  • Unit Cell Volume: 136.68304433419817
  • Molar Volume: 5.144528328036636
  • Full Formula: Li4 B4 H8
  • Reduced Formula: LiBH2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm