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-102653
  • 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: 6
  • Number of elements: 3
  • Element list: ['Y', 'Si', 'S']
  • Chemical System: S-Si-Y
  • Density: 4.425448770299497
  • Atomic Density: 0.044549826933110305
  • Unit Cell Volume: 134.68065788468152
  • Molar Volume: 13.5177646571826
  • Full Formula: Y3 Si1 S2
  • Reduced Formula: Y3SiS2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm