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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10800
  • 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: 19
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'O']
  • Chemical System: Cu-O-Ti
  • Density: 4.750617477280242
  • Atomic Density: 0.09468210975962717
  • Unit Cell Volume: 200.67148955843902
  • Molar Volume: 6.360378719156789
  • Full Formula: Ti4 Cu3 O12
  • Reduced Formula: Ti4(CuO4)3
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3