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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1741404
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cl', 'Ir', 'K']
  • Chemical System: Cl-Ir-K
  • Density: 3.5414765237831847
  • Atomic Density: 0.03429489635064721
  • Unit Cell Volume: 349.9062915165666
  • Molar Volume: 17.559874502686316
  • Full Formula: K2 Ir2 Cl8
  • Reduced Formula: KIrCl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m