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-55961
  • 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: 28
  • Number of elements: 2
  • Element list: ['As', 'S']
  • Chemical System: As-S
  • Density: 3.534954978358469
  • Atomic Density: 0.03764157024580061
  • Unit Cell Volume: 743.8584473803601
  • Molar Volume: 15.998643841569935
  • Full Formula: As16 S12
  • Reduced Formula: As4S3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm