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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-23592
  • 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: 56
  • Number of elements: 4
  • Element list: ['B', 'C', 'H', 'N']
  • Chemical System: B-C-H-N
  • Density: 0.8810204940571882
  • Atomic Density: 0.1260704396969865
  • Unit Cell Volume: 444.19611873011166
  • Molar Volume: 4.776806342925723
  • Full Formula: B4 H40 C8 N4
  • Reduced Formula: BH10C2N
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m