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-20909
  • 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: ['Ni', 'Sb', 'S']
  • Chemical System: Ni-S-Sb
  • Density: 6.602629056257348
  • Atomic Density: 0.05612967382107422
  • Unit Cell Volume: 213.79065978991184
  • Molar Volume: 10.728978720234343
  • Full Formula: Ni4 Sb4 S4
  • Reduced Formula: NiSbS
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23