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-12031
  • 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: 3
  • Element list: ['Y', 'Ga', 'I']
  • Chemical System: Ga-I-Y
  • Density: 5.468612285711746
  • Atomic Density: 0.03460130638112812
  • Unit Cell Volume: 173.40385747031956
  • Molar Volume: 17.404373966887366
  • Full Formula: Y2 Ga2 I2
  • Reduced Formula: YGaI
  • Formula Anonymous: ABC
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1