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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-684258
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Al', 'Fe', 'O', 'Y']
  • Chemical System: Al-Fe-O-Y
  • Density: 4.793183201760603
  • Atomic Density: 0.08863267686115288
  • Unit Cell Volume: 902.6016457262556
  • Molar Volume: 6.7944927009639535
  • Full Formula: Y12 Al12 Fe8 O48
  • Reduced Formula: Y3Al3(FeO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m