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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88025
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ti', 'Cd', 'Cu', 'O']
  • Chemical System: Cd-Cu-O-Ti
  • Density: 5.521120201713475
  • Atomic Density: 0.09686376806008674
  • Unit Cell Volume: 206.47555221673346
  • Molar Volume: 6.217124194739496
  • Full Formula: Ti4 Cd1 Cu3 O12
  • Reduced Formula: Ti4Cd(CuO4)3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3