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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-26685
  • 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: 120
  • Number of elements: 3
  • Element list: ['Ca', 'N', 'Si']
  • Chemical System: Ca-N-Si
  • Density: 3.223748255540335
  • Atomic Density: 0.08754525176105145
  • Unit Cell Volume: 1370.7196859463204
  • Molar Volume: 6.87888907605978
  • Full Formula: Ca16 Si40 N64
  • Reduced Formula: Ca2Si5N8
  • Formula Anonymous: A2B5C8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm