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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19353
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ca', 'Bi', 'O']
  • Chemical System: Bi-Ca-O
  • Density: 6.65931634225031
  • Atomic Density: 0.0675011772037022
  • Unit Cell Volume: 296.2911289627564
  • Molar Volume: 8.921534422765157
  • Full Formula: Ca4 Bi4 O12
  • Reduced Formula: CaBiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm