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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21926
  • 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: 22
  • Number of elements: 3
  • Element list: ['Sc', 'Si', 'Ir']
  • Chemical System: Ir-Sc-Si
  • Density: 8.105014450213286
  • Atomic Density: 0.06561981979126111
  • Unit Cell Volume: 335.2645598537569
  • Molar Volume: 9.17731986944895
  • Full Formula: Sc2 Si14 Ir6
  • Reduced Formula: ScSi7Ir3
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m