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-114375
  • 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: 5
  • Number of elements: 3
  • Element list: ['Y', 'S', 'O']
  • Chemical System: O-S-Y
  • Density: 4.87732999497347
  • Atomic Density: 0.060717120528641096
  • Unit Cell Volume: 82.3490962098809
  • Molar Volume: 9.918356976693705
  • Full Formula: Y2 S1 O2
  • Reduced Formula: Y2SO2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1