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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21665
  • 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: 11
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Ir']
  • Chemical System: Ca-Ir-Si
  • Density: 7.951658498629778
  • Atomic Density: 0.0525986549900163
  • Unit Cell Volume: 209.13082287157152
  • Molar Volume: 11.44922956897483
  • Full Formula: Ca3 Si4 Ir4
  • Reduced Formula: Ca3(SiIr)4
  • Formula Anonymous: A3B4C4
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m