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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71161
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 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: 4.358393930801917
  • Atomic Density: 0.046267672096527546
  • Unit Cell Volume: 86.45345267544172
  • Molar Volume: 13.015871529987717
  • Full Formula: Zr2 Be1 Cl1
  • Reduced Formula: Zr2BeCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm