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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-46357
  • 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: ['Ta', 'Fe', 'O']
  • Chemical System: Fe-O-Ta
  • Density: 7.476599917996479
  • Atomic Density: 0.08981362135119232
  • Unit Cell Volume: 133.6100228391547
  • Molar Volume: 6.70515303736837
  • Full Formula: Ta2 Fe2 O8
  • Reduced Formula: TaFeO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m