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-101815
  • 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: 19
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'O']
  • Chemical System: C-H-O-S
  • Density: 1.706519567120048
  • Atomic Density: 0.09465643579717112
  • Unit Cell Volume: 200.725918316986
  • Molar Volume: 6.362103864658695
  • Full Formula: H6 C10 S2 O1
  • Reduced Formula: H6C10S2O
  • Formula Anonymous: AB2C6D10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1