Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1623738
  • 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: ['Cr', 'Ir', 'W']
  • Chemical System: Cr-Ir-W
  • Density: 20.198894823603414
  • Atomic Density: 0.07005240896709204
  • Unit Cell Volume: 114.20021264019766
  • Molar Volume: 8.596621941765019
  • Full Formula: Cr1 Ir6 W1
  • Reduced Formula: CrIr6W
  • Formula Anonymous: ABC6
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2