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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1282782
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Al', 'O', 'Si', 'Ti']
  • Chemical System: Al-O-Si-Ti
  • Density: 4.675854772630211
  • Atomic Density: 0.11885969024442292
  • Unit Cell Volume: 673.0624977693287
  • Molar Volume: 5.066596377305104
  • Full Formula: Ti12 Al8 Si12 O48
  • Reduced Formula: Ti3Al2(SiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m