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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20237
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Al', 'C', 'Zr']
  • Chemical System: Al-C-Zr
  • Density: 5.327607195818398
  • Atomic Density: 0.08053348670132812
  • Unit Cell Volume: 322.8470672879884
  • Molar Volume: 7.477809550620992
  • Full Formula: Zr8 Al6 C12
  • Reduced Formula: Zr4(AlC2)3
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm