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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-14464
  • 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: 8
  • Number of elements: 3
  • Element list: ['I', 'O', 'Ta']
  • Chemical System: I-O-Ta
  • Density: 6.808454767191207
  • Atomic Density: 0.036384609827713715
  • Unit Cell Volume: 219.87318368621058
  • Molar Volume: 16.551340768846195
  • Full Formula: Ta2 I4 O2
  • Reduced Formula: TaI2O
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m