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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1381959
  • Created at: Sept. 4, 2022, 3:47 p.m.
  • Last updated at: Sept. 4, 2022, 3:47 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['B', 'C', 'O']
  • Chemical System: B-C-O
  • Density: 1.679463974717761
  • Atomic Density: 0.06989668283845604
  • Unit Cell Volume: 1545.137703453076
  • Molar Volume: 8.615774762757002
  • Full Formula: B18 C18 O72
  • Reduced Formula: BCO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm