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-51636
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Nd', 'Cu', 'Si', 'Se']
  • Chemical System: Cu-Nd-Se-Si
  • Density: 6.050419391333357
  • Atomic Density: 0.04059482506419604
  • Unit Cell Volume: 591.2083612146811
  • Molar Volume: 14.834749873848892
  • Full Formula: Nd6 Cu2 Si2 Se14
  • Reduced Formula: Nd3CuSiSe7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6