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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-68920
  • 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: ['Zr', 'Be', 'Cl']
  • Chemical System: Be-Cl-Zr
  • Density: 5.1925349086988986
  • Atomic Density: 0.055122714082260445
  • Unit Cell Volume: 72.56536740971681
  • Molar Volume: 10.924971421060782
  • Full Formula: Zr2 Be1 Cl1
  • Reduced Formula: Zr2BeCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2