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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-47775
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ta', 'Cr', 'O']
  • Chemical System: Cr-O-Ta
  • Density: 7.538502237111584
  • Atomic Density: 0.09173101646556081
  • Unit Cell Volume: 261.6345149626733
  • Molar Volume: 6.564999486581436
  • Full Formula: Ta4 Cr4 O16
  • Reduced Formula: TaCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm