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-35760
  • 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: 3
  • Number of elements: 2
  • Element list: ['Ti', 'Au']
  • Chemical System: Au-Ti
  • Density: 14.28040402871825
  • Atomic Density: 0.058396498192355706
  • Unit Cell Volume: 51.372943461748704
  • Molar Volume: 10.312503226072412
  • Full Formula: Ti1 Au2
  • Reduced Formula: TiAu2
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm