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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-22004
  • 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: 152
  • Number of elements: 4
  • Element list: ['Al', 'C', 'H', 'N']
  • Chemical System: Al-C-H-N
  • Density: 1.4676069744083011
  • Atomic Density: 0.1433671876447164
  • Unit Cell Volume: 1060.2147011258733
  • Molar Volume: 4.200501425000881
  • Full Formula: Al8 H96 C24 N24
  • Reduced Formula: AlH12(CN)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m