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-1017812
  • Created at: Sept. 4, 2022, 3:27 p.m.
  • Last updated at: Sept. 4, 2022, 3:27 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ir', 'Zn', 'Zr']
  • Chemical System: Ir-Zn-Zr
  • Density: 14.138976620453578
  • Atomic Density: 0.06294740388169709
  • Unit Cell Volume: 63.54511470429459
  • Molar Volume: 9.566940633990194
  • Full Formula: Zr1 Zn1 Ir2
  • Reduced Formula: ZrZnIr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm