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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97719
  • 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: 48
  • Number of elements: 4
  • Element list: ['Ca', 'Bi', 'B', 'O']
  • Chemical System: B-Bi-Ca-O
  • Density: 6.449476564820394
  • Atomic Density: 0.0787747265189135
  • Unit Cell Volume: 609.3324867141924
  • Molar Volume: 7.6447625096535345
  • Full Formula: Ca4 Bi8 B8 O28
  • Reduced Formula: CaBi2B2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm