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-41858
  • 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: 6
  • Number of elements: 2
  • Element list: ['Sc', 'I']
  • Chemical System: I-Sc
  • Density: 4.717964569903895
  • Atomic Density: 0.028529708123570818
  • Unit Cell Volume: 210.30709371481055
  • Molar Volume: 21.108315352951674
  • Full Formula: Sc2 I4
  • Reduced Formula: ScI2
  • Formula Anonymous: AB2
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm