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-16522
  • 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: 8
  • Number of elements: 3
  • Element list: ['Sc', 'Ga', 'Ni']
  • Chemical System: Ga-Ni-Sc
  • Density: 6.497615472189361
  • Atomic Density: 0.06438553614131487
  • Unit Cell Volume: 124.25150863761411
  • Molar Volume: 9.35325093322585
  • Full Formula: Sc2 Ga4 Ni2
  • Reduced Formula: ScGa2Ni
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm