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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1240305
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['B', 'Ca']
  • Chemical System: B-Ca
  • Density: 0.41004429043525703
  • Atomic Density: 0.012006536964451179
  • Unit Cell Volume: 499.7277747750857
  • Molar Volume: 50.15718335628572
  • Full Formula: Ca2 B4
  • Reduced Formula: CaB2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m