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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91366
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ta', 'Fe', 'O']
  • Chemical System: Fe-O-Ta
  • Density: 8.534771965689083
  • Atomic Density: 0.09004183838809542
  • Unit Cell Volume: 199.90706900515494
  • Molar Volume: 6.688158380378201
  • Full Formula: Ta4 Fe2 O12
  • Reduced Formula: Ta2FeO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm