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-104733
  • 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: 8
  • Number of elements: 3
  • Element list: ['In', 'Ga', 'Se']
  • Chemical System: Ga-In-Se
  • Density: 5.342912667777414
  • Atomic Density: 0.03758182352426929
  • Unit Cell Volume: 212.86886185375823
  • Molar Volume: 16.02407811880408
  • Full Formula: In2 Ga2 Se4
  • Reduced Formula: InGaSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm