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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99547
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['K', 'As', 'Ir']
  • Chemical System: As-Ir-K
  • Density: 8.740197943855856
  • Atomic Density: 0.04589898095257991
  • Unit Cell Volume: 108.93488038799165
  • Molar Volume: 13.120423667404985
  • Full Formula: K1 As2 Ir2
  • Reduced Formula: K(AsIr)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm