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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71058
  • 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: ['Ca', 'Be', 'Cl']
  • Chemical System: Be-Ca-Cl
  • Density: 1.9637986673568784
  • Atomic Density: 0.05056373679743449
  • Unit Cell Volume: 79.10807731684405
  • Molar Volume: 11.909999421374948
  • Full Formula: Ca1 Be2 Cl1
  • Reduced Formula: CaBe2Cl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm