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-104917
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ti', 'Al']
  • Chemical System: Al-Ti
  • Density: 3.6162901406142423
  • Atomic Density: 0.06255548587362796
  • Unit Cell Volume: 127.88646572358616
  • Molar Volume: 9.626878723579388
  • Full Formula: Ti3 Al5
  • Reduced Formula: Ti3Al5
  • Formula Anonymous: A3B5
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm