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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52258
  • 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: 24
  • Number of elements: 3
  • Element list: ['Hf', 'Ti', 'O']
  • Chemical System: Hf-O-Ti
  • Density: 7.07695677789659
  • Atomic Density: 0.0880683754629491
  • Unit Cell Volume: 272.5155298237214
  • Molar Volume: 6.838028666185119
  • Full Formula: Hf4 Ti4 O16
  • Reduced Formula: HfTiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1