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-114024
  • 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: 3
  • Number of elements: 2
  • Element list: ['S', 'F']
  • Chemical System: F-S
  • Density: 2.935956099081495
  • Atomic Density: 0.06380758039134099
  • Unit Cell Volume: 47.01635732934194
  • Molar Volume: 9.437970728658495
  • Full Formula: S2 F1
  • Reduced Formula: S2F
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm