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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104674
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Zn', 'Cu']
  • Chemical System: Cu-Ti-Zn
  • Density: 7.3205126879919495
  • Atomic Density: 0.07336277351009847
  • Unit Cell Volume: 54.52356568075218
  • Molar Volume: 8.20871468166487
  • Full Formula: Ti1 Zn1 Cu2
  • Reduced Formula: TiZnCu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm