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-54844
  • 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', 'Si']
  • Chemical System: Si-Ti
  • Density: 3.9710747808296434
  • Atomic Density: 0.06895856698583179
  • Unit Cell Volume: 43.50438431553224
  • Molar Volume: 8.73298420084238
  • Full Formula: Ti1 Si2
  • Reduced Formula: TiSi2
  • Formula Anonymous: AB2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm