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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20931
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'O']
  • Chemical System: B-Ca-O
  • Density: 2.799045412604586
  • Atomic Density: 0.08345823642825485
  • Unit Cell Volume: 431.35347139700843
  • Molar Volume: 7.215753672409496
  • Full Formula: Ca8 B8 O20
  • Reduced Formula: Ca2B2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m