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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113985
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Cu', 'B', 'N']
  • Chemical System: B-Cu-N
  • Density: 4.021223295904694
  • Atomic Density: 0.08221602102570805
  • Unit Cell Volume: 36.48923850330744
  • Molar Volume: 7.3247776830709705
  • Full Formula: Cu1 B1 N1
  • Reduced Formula: CuBN
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2