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-5197
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sb', 'S', 'I']
  • Chemical System: I-S-Sb
  • Density: 4.707488531124186
  • Atomic Density: 0.030295171971413282
  • Unit Cell Volume: 396.1027193152518
  • Molar Volume: 19.87821942612681
  • Full Formula: Sb4 S4 I4
  • Reduced Formula: SbSI
  • Formula Anonymous: ABC
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm