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-118863
  • 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: 3
  • Number of elements: 3
  • Element list: ['As', 'S', 'I']
  • Chemical System: As-I-S
  • Density: 4.222263827769309
  • Atomic Density: 0.0326139862100809
  • Unit Cell Volume: 91.98507599395217
  • Molar Volume: 18.46490251516256
  • Full Formula: As1 S1 I1
  • Reduced Formula: AsSI
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm