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-97974
  • 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: 64
  • Number of elements: 4
  • Element list: ['Y', 'Si', 'S', 'O']
  • Chemical System: O-S-Si-Y
  • Density: 4.406431380285309
  • Atomic Density: 0.06848202190769598
  • Unit Cell Volume: 934.551846121934
  • Molar Volume: 8.793754320100229
  • Full Formula: Y16 Si8 S12 O28
  • Reduced Formula: Y4Si2S3O7
  • Formula Anonymous: A2B3C4D7
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm