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-757627
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Pt', 'Zr']
  • Chemical System: Pt-Zr
  • Density: 11.734078660804249
  • Atomic Density: 0.05206030153837811
  • Unit Cell Volume: 268.91891875961187
  • Molar Volume: 11.567625584267052
  • Full Formula: Zr8 Pt6
  • Reduced Formula: Zr4Pt3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m