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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-73824
  • 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: 3.472216047654283
  • Atomic Density: 0.057802285250969906
  • Unit Cell Volume: 69.20141621793199
  • Molar Volume: 10.418516731393332
  • Full Formula: Zr1 Be2 Cl1
  • Reduced Formula: ZrBe2Cl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm