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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1718420
  • 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: 10
  • Number of elements: 4
  • Element list: ['La', 'Ni', 'O', 'Ta']
  • Chemical System: La-Ni-O-Ta
  • Density: 8.164223254590913
  • Atomic Density: 0.08014705722575845
  • Unit Cell Volume: 124.77064468919892
  • Molar Volume: 7.513863850343023
  • Full Formula: La2 Ta1 Ni1 O6
  • Reduced Formula: La2TaNiO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3