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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1282761
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Cl', 'Li', 'Na', 'Sc']
  • Chemical System: Cl-Li-Na-Sc
  • Density: 3.2781761202656674
  • Atomic Density: 0.06524650077034568
  • Unit Cell Volume: 1226.1193942274947
  • Molar Volume: 9.229829475754881
  • Full Formula: Na12 Li12 Sc8 Cl48
  • Reduced Formula: Na3Li3Sc2Cl12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m