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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57721
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'O']
  • Chemical System: B-Ca-O
  • Density: 2.688761104976005
  • Atomic Density: 0.09017251319708569
  • Unit Cell Volume: 310.5159100845039
  • Molar Volume: 6.678466138387093
  • Full Formula: Ca4 B8 O16
  • Reduced Formula: Ca(BO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm