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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22039
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'Ir']
  • Chemical System: B-Ca-Ir
  • Density: 9.941040214431428
  • Atomic Density: 0.06709457639724294
  • Unit Cell Volume: 149.0433435452902
  • Molar Volume: 8.975599941707753
  • Full Formula: Ca2 B4 Ir4
  • Reduced Formula: Ca(BIr)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm