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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35645
  • 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: 3
  • Number of elements: 2
  • Element list: ['Zr', 'Zn']
  • Chemical System: Zn-Zr
  • Density: 6.711965991015676
  • Atomic Density: 0.04892386011474082
  • Unit Cell Volume: 61.31977307113787
  • Molar Volume: 12.309210160188325
  • Full Formula: Zr2 Zn1
  • Reduced Formula: Zr2Zn
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm