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-99410
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Y', 'S', 'N']
  • Chemical System: N-S-Y
  • Density: 4.176516263243923
  • Atomic Density: 0.04717572272020814
  • Unit Cell Volume: 190.77609162190473
  • Molar Volume: 12.765338637664076
  • Full Formula: Y4 S3 N2
  • Reduced Formula: Y4S3N2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m