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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109672
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'O']
  • Chemical System: Cu-O-Ti
  • Density: 5.391849915288667
  • Atomic Density: 0.08587160350458747
  • Unit Cell Volume: 93.16234556598934
  • Molar Volume: 7.012959481626871
  • Full Formula: Ti1 Cu3 O4
  • Reduced Formula: TiCu3O4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m