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-111368
  • 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: 8
  • Number of elements: 3
  • Element list: ['Hf', 'Se', 'S']
  • Chemical System: Hf-S-Se
  • Density: 6.294599464112671
  • Atomic Density: 0.04394660021454164
  • Unit Cell Volume: 182.039110214329
  • Molar Volume: 13.70331431919804
  • Full Formula: Hf2 Se3 S3
  • Reduced Formula: Hf2(SeS)3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m