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-10215
  • 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: 12
  • Number of elements: 3
  • Element list: ['Tl', 'Si', 'S']
  • Chemical System: S-Si-Tl
  • Density: 5.514342153115777
  • Atomic Density: 0.037379223700503054
  • Unit Cell Volume: 321.0339544809354
  • Molar Volume: 16.110930521863548
  • Full Formula: Tl4 Si2 S6
  • Reduced Formula: Tl2SiS3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1