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-12274
  • 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: 10
  • Number of elements: 3
  • Element list: ['In', 'Ga', 'S']
  • Chemical System: Ga-In-S
  • Density: 4.082611778793598
  • Atomic Density: 0.04378858217119543
  • Unit Cell Volume: 228.3700340171804
  • Molar Volume: 13.752764902174487
  • Full Formula: In2 Ga2 S6
  • Reduced Formula: InGaS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2