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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112632
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ta', 'Cu', 'O']
  • Chemical System: Cu-O-Ta
  • Density: 7.978478216103978
  • Atomic Density: 0.08292980896549353
  • Unit Cell Volume: 217.05102452954722
  • Molar Volume: 7.261732343439701
  • Full Formula: Ta4 Cu2 O12
  • Reduced Formula: Ta2CuO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm