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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36822
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Tl', 'Cu', 'O']
  • Chemical System: Cu-O-Tl
  • Density: 6.603364654576675
  • Atomic Density: 0.053034565888573866
  • Unit Cell Volume: 150.8450171310552
  • Molar Volume: 11.355124076347822
  • Full Formula: Tl2 Cu2 O4
  • Reduced Formula: TlCuO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm