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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-23678
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['B', 'H', 'N']
  • Chemical System: B-H-N
  • Density: 0.8926984647978462
  • Atomic Density: 0.13316450789819528
  • Unit Cell Volume: 420.53247433476935
  • Molar Volume: 4.522331704634051
  • Full Formula: B12 H40 N4
  • Reduced Formula: B3H10N
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m