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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1444793
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['B', 'C', 'Li']
  • Chemical System: B-C-Li
  • Density: 2.619261903351887
  • Atomic Density: 0.15899327555707227
  • Unit Cell Volume: 75.4748901043458
  • Molar Volume: 3.7876701004491795
  • Full Formula: Li4 B4 C4
  • Reduced Formula: LiBC
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm