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-26862
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['Ti', 'Si']
  • Chemical System: Si-Ti
  • Density: 4.221214231702037
  • Atomic Density: 0.06505592251181855
  • Unit Cell Volume: 553.3700639393742
  • Molar Volume: 9.256867826147532
  • Full Formula: Ti20 Si16
  • Reduced Formula: Ti5Si4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422