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-1373386
  • Created at: Sept. 4, 2022, 3:49 p.m.
  • Last updated at: Sept. 4, 2022, 3:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 2
  • Element list: ['Pt', 'Ta']
  • Chemical System: Pt-Ta
  • Density: 20.510409733123748
  • Atomic Density: 0.06382846126604098
  • Unit Cell Volume: 141.00292912416361
  • Molar Volume: 9.434883186200187
  • Full Formula: Ta1 Pt8
  • Reduced Formula: TaPt8
  • Formula Anonymous: AB8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm