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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107723
  • 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: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Zn']
  • Chemical System: Al-Zn-Zr
  • Density: 5.1470959720547365
  • Atomic Density: 0.05887391041993138
  • Unit Cell Volume: 67.9418093934835
  • Molar Volume: 10.228878491416197
  • Full Formula: Zr1 Al2 Zn1
  • Reduced Formula: ZrAl2Zn
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm