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-37954
  • 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: 20
  • Number of elements: 3
  • Element list: ['Nb', 'Cr', 'Se']
  • Chemical System: Cr-Nb-Se
  • Density: 6.579010666012604
  • Atomic Density: 0.04924915812941737
  • Unit Cell Volume: 406.0983123293971
  • Molar Volume: 12.227905996230364
  • Full Formula: Nb6 Cr2 Se12
  • Reduced Formula: Nb3CrSe6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622