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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111817
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Hf', 'Ti', 'O']
  • Chemical System: Hf-O-Ti
  • Density: 7.059833683063983
  • Atomic Density: 0.08785528907679008
  • Unit Cell Volume: 136.588247857353
  • Molar Volume: 6.854613789656234
  • Full Formula: Hf2 Ti2 O8
  • Reduced Formula: HfTiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222