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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50969
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ta', 'Cu', 'O']
  • Chemical System: Cu-O-Ta
  • Density: 7.790204709264377
  • Atomic Density: 0.08097285858817008
  • Unit Cell Volume: 111.14835460823014
  • Molar Volume: 7.437233741035073
  • Full Formula: Ta2 Cu1 O6
  • Reduced Formula: Ta2CuO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2