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-96968
  • 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: 56
  • Number of elements: 3
  • Element list: ['C', 'S', 'O']
  • Chemical System: C-O-S
  • Density: 1.9484447075782023
  • Atomic Density: 0.07326656777850322
  • Unit Cell Volume: 764.332241811806
  • Molar Volume: 8.21949347785188
  • Full Formula: C32 S8 O16
  • Reduced Formula: C4SO2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2