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-57172
  • 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: 12
  • Number of elements: 3
  • Element list: ['Cu', 'Si', 'S']
  • Chemical System: Cu-S-Si
  • Density: 3.8406028604042546
  • Atomic Density: 0.05520568328661048
  • Unit Cell Volume: 217.36892445837123
  • Molar Volume: 10.908552166150987
  • Full Formula: Cu4 Si2 S6
  • Reduced Formula: Cu2SiS3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 157
  • Spacegroup Symbol: P31m
  • Crystal System: trigonal
  • Pointgroup: 31m