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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-654855
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Br', 'Gd', 'Ir']
  • Chemical System: Br-Gd-Ir
  • Density: 6.345155246830964
  • Atomic Density: 0.031616075715436946
  • Unit Cell Volume: 1834.5097766729084
  • Molar Volume: 19.047717415035205
  • Full Formula: Gd22 Ir6 Br30
  • Reduced Formula: Gd11(IrBr5)3
  • Formula Anonymous: A3B11C15
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m