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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1733943
  • Created at: Sept. 4, 2022, 4:02 p.m.
  • Last updated at: Sept. 4, 2022, 4:02 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['C', 'Zr']
  • Chemical System: C-Zr
  • Density: 6.246710478898339
  • Atomic Density: 0.08609152459169733
  • Unit Cell Volume: 232.3109051077114
  • Molar Volume: 6.995044853208205
  • Full Formula: Zr8 C12
  • Reduced Formula: Zr2C3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m