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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-22261
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Be', 'C', 'N']
  • Chemical System: Be-C-N
  • Density: 3.3285000958515445
  • Atomic Density: 0.16350910212824465
  • Unit Cell Volume: 97.85387964182424
  • Molar Volume: 3.6830614819697747
  • Full Formula: Be4 C4 N8
  • Reduced Formula: BeCN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2