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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-27600
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ca', 'Bi', 'O']
  • Chemical System: Bi-Ca-O
  • Density: 6.916057263435858
  • Atomic Density: 0.05584788580129089
  • Unit Cell Volume: 501.36186174755426
  • Molar Volume: 10.783113225497969
  • Full Formula: Ca4 Bi8 O16
  • Reduced Formula: Ca(BiO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm