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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-10622
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Al', 'Zr']
  • Chemical System: Al-Zr
  • Density: 4.670234953017625
  • Atomic Density: 0.05338952307687179
  • Unit Cell Volume: 187.30266583579908
  • Molar Volume: 11.279630183864253
  • Full Formula: Zr4 Al6
  • Reduced Formula: Zr2Al3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2