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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-23478
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 128
  • Number of elements: 4
  • Element list: ['B', 'H', 'K', 'N']
  • Chemical System: B-H-K-N
  • Density: 1.5284725380736102
  • Atomic Density: 0.10678945207145665
  • Unit Cell Volume: 1198.620252441698
  • Molar Volume: 5.639265529680187
  • Full Formula: K16 B16 H80 N16
  • Reduced Formula: KBH5N
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm