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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-16167
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['B', 'C', 'N']
  • Chemical System: B-C-N
  • Density: 3.4727024556683017
  • Atomic Density: 0.17128164124940298
  • Unit Cell Volume: 23.353349318830997
  • Molar Volume: 3.5159289203862594
  • Full Formula: B1 C2 N1
  • Reduced Formula: BC2N
  • Formula Anonymous: ABC2
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2