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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33501
  • 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: 40
  • Number of elements: 4
  • Element list: ['B', 'H', 'N', 'F']
  • Chemical System: B-F-H-N
  • Density: 1.975945909468334
  • Atomic Density: 0.11349747853896086
  • Unit Cell Volume: 352.4307369195783
  • Molar Volume: 5.305968764700573
  • Full Formula: B4 H16 N4 F16
  • Reduced Formula: BH4NF4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm