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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1749340
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Ba', 'O', 'Ta', 'Yb']
  • Chemical System: Ba-O-Ta-Yb
  • Density: 8.27518665188983
  • Atomic Density: 0.06852207339307848
  • Unit Cell Volume: 218.90756156709023
  • Molar Volume: 8.788614327902556
  • Full Formula: Ba3 Yb1 Ta2 O9
  • Reduced Formula: Ba3YbTa2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1