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-348011
  • Created at: Sept. 4, 2022, 2:51 p.m.
  • Last updated at: Sept. 4, 2022, 2:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['H', 'Ir']
  • Chemical System: H-Ir
  • Density: 13.793446218231274
  • Atomic Density: 0.1701817780121683
  • Unit Cell Volume: 23.50427905221435
  • Molar Volume: 3.5386519228688553
  • Full Formula: H3 Ir1
  • Reduced Formula: H3Ir
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m