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-45331
  • 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: 20
  • Number of elements: 3
  • Element list: ['Hf', 'Sn', 'S']
  • Chemical System: Hf-S-Sn
  • Density: 5.468708761831028
  • Atomic Density: 0.041857845105520944
  • Unit Cell Volume: 477.8076833525778
  • Molar Volume: 14.38712562679366
  • Full Formula: Hf4 Sn4 S12
  • Reduced Formula: HfSnS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm