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-107724
  • 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: 10
  • Number of elements: 3
  • Element list: ['Zn', 'Fe', 'S']
  • Chemical System: Fe-S-Zn
  • Density: 3.9960878151921464
  • Atomic Density: 0.05036563651508002
  • Unit Cell Volume: 198.5480715012088
  • Molar Volume: 11.956844342068239
  • Full Formula: Zn4 Fe1 S5
  • Reduced Formula: Zn4FeS5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m