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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-8023
  • 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', 'C', 'H']
  • Chemical System: B-C-H
  • Density: 0.9152980634119282
  • Atomic Density: 0.10244239912078443
  • Unit Cell Volume: 546.648657983628
  • Molar Volume: 5.878562794004474
  • Full Formula: B16 H32 C8
  • Reduced Formula: B2H4C
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m