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-102175
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ti', 'Te', 'Se']
  • Chemical System: Se-Te-Ti
  • Density: 5.953769967949828
  • Atomic Density: 0.04508202235667697
  • Unit Cell Volume: 155.27253734577081
  • Molar Volume: 13.358186800836979
  • Full Formula: Ti3 Te2 Se2
  • Reduced Formula: Ti3(TeSe)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m