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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92242
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'O']
  • Chemical System: Cu-O-Ti
  • Density: 4.949620154199721
  • Atomic Density: 0.07882857016746143
  • Unit Cell Volume: 101.48604729230787
  • Molar Volume: 7.639540774628686
  • Full Formula: Ti1 Cu3 O4
  • Reduced Formula: TiCu3O4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m