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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-68893
  • 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: ['Ca', 'Be', 'Cu']
  • Chemical System: Be-Ca-Cu
  • Density: 3.455130983031059
  • Atomic Density: 0.06841780504747523
  • Unit Cell Volume: 58.46431345209618
  • Molar Volume: 8.802008126132117
  • Full Formula: Ca1 Be2 Cu1
  • Reduced Formula: CaBe2Cu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm