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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110947
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Cu']
  • Chemical System: Al-Cu-Zr
  • Density: 6.172123406086217
  • Atomic Density: 0.061351991139160775
  • Unit Cell Volume: 97.79633698261864
  • Molar Volume: 9.815721785362053
  • Full Formula: Zr2 Al2 Cu2
  • Reduced Formula: ZrAlCu
  • Formula Anonymous: ABC
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm