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-109211
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Cr', 'S', 'N']
  • Chemical System: Cr-N-S
  • Density: 4.866453171498441
  • Atomic Density: 0.08931053464435348
  • Unit Cell Volume: 55.98443699738973
  • Molar Volume: 6.742923199352654
  • Full Formula: Cr2 S1 N2
  • Reduced Formula: Cr2SN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1