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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-56589
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'Pt']
  • Chemical System: Al-Pt-Ti
  • Density: 9.668108904825408
  • Atomic Density: 0.06470807079794036
  • Unit Cell Volume: 92.72413666505072
  • Molar Volume: 9.306630047440208
  • Full Formula: Ti2 Al2 Pt2
  • Reduced Formula: TiAlPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm