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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1744843
  • 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: 12
  • Number of elements: 3
  • Element list: ['Hf', 'O', 'Re']
  • Chemical System: Hf-O-Re
  • Density: 11.677682157377594
  • Atomic Density: 0.09842621632262832
  • Unit Cell Volume: 121.9187371854828
  • Molar Volume: 6.1184316384368636
  • Full Formula: Hf2 Re2 O8
  • Reduced Formula: HfReO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm