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-90873
  • 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: ['Ca', 'Ga', 'Ni']
  • Chemical System: Ca-Ga-Ni
  • Density: 5.483666875967897
  • Atomic Density: 0.055450884476852355
  • Unit Cell Volume: 144.27181956564738
  • Molar Volume: 10.860315064070631
  • Full Formula: Ca2 Ga4 Ni2
  • Reduced Formula: CaGa2Ni
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm