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-988830
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Pt', 'Zn', 'Zr']
  • Chemical System: Pt-Zn-Zr
  • Density: 9.258039576692678
  • Atomic Density: 0.04755518002692043
  • Unit Cell Volume: 63.08461030537021
  • Molar Volume: 12.663480101622868
  • Full Formula: Zr1 Zn1 Pt1
  • Reduced Formula: ZrZnPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m