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-300840
  • Created at: Sept. 4, 2022, 2:50 p.m.
  • Last updated at: Sept. 4, 2022, 2:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Pt', 'Re']
  • Chemical System: Pt-Re
  • Density: 21.71054132929914
  • Atomic Density: 0.06779047799352618
  • Unit Cell Volume: 59.00533700886414
  • Molar Volume: 8.88346112646543
  • Full Formula: Re1 Pt3
  • Reduced Formula: RePt3
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm