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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1623742
  • Created at: Sept. 4, 2022, 3:58 p.m.
  • Last updated at: Sept. 4, 2022, 3:58 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ir', 'Nb', 'Re']
  • Chemical System: Ir-Nb-Re
  • Density: 20.051844979385265
  • Atomic Density: 0.06744134959248357
  • Unit Cell Volume: 118.62158821465238
  • Molar Volume: 8.929448767542421
  • Full Formula: Nb1 Re1 Ir6
  • Reduced Formula: NbReIr6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2