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-59112
  • 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: 3
  • Element list: ['As', 'S', 'I']
  • Chemical System: As-I-S
  • Density: 2.654602681857701
  • Atomic Density: 0.036534506330650474
  • Unit Cell Volume: 766.3987504467665
  • Molar Volume: 16.48343269099479
  • Full Formula: As1 S24 I3
  • Reduced Formula: As(S8I)3
  • Formula Anonymous: AB3C24
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m