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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119733
  • 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: 4
  • Element list: ['Ti', 'V', 'Cu', 'O']
  • Chemical System: Cu-O-Ti-V
  • Density: 3.4677254524768575
  • Atomic Density: 0.07411617806494912
  • Unit Cell Volume: 242.86195632249587
  • Molar Volume: 8.125271590128012
  • Full Formula: Ti1 V4 Cu1 O12
  • Reduced Formula: TiV4CuO12
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2