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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1603017
  • Created at: Sept. 4, 2022, 4 p.m.
  • Last updated at: Sept. 4, 2022, 4 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['C', 'N']
  • Chemical System: C-N
  • Density: 3.082194224821499
  • Atomic Density: 0.13574200841460027
  • Unit Cell Volume: 44.20149716419436
  • Molar Volume: 4.436460628758654
  • Full Formula: C1 N5
  • Reduced Formula: CN5
  • Formula Anonymous: AB5
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm