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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-688300
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['B', 'Cl', 'H']
  • Chemical System: B-Cl-H
  • Density: 1.1858140068979126
  • Atomic Density: 0.10939648177665869
  • Unit Cell Volume: 877.5419322532819
  • Molar Volume: 5.5048760821163
  • Full Formula: B40 H52 Cl4
  • Reduced Formula: B10H13Cl
  • Formula Anonymous: AB10C13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m