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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-67308
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Zr', 'Be']
  • Chemical System: Be-Ca-Zr
  • Density: 3.5422035714473403
  • Atomic Density: 0.04560832314555851
  • Unit Cell Volume: 65.77746764391074
  • Molar Volume: 13.204038966265868
  • Full Formula: Ca1 Zr1 Be1
  • Reduced Formula: CaZrBe
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm