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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21868
  • 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: 22
  • Number of elements: 3
  • Element list: ['Mg', 'Si', 'Ir']
  • Chemical System: Ir-Mg-Si
  • Density: 7.869845979476639
  • Atomic Density: 0.06536562992339351
  • Unit Cell Volume: 336.56831618976696
  • Molar Volume: 9.213008070231652
  • Full Formula: Mg2 Si14 Ir6
  • Reduced Formula: MgSi7Ir3
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m