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-35541
  • 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: ['Nb', 'Tl', 'Se']
  • Chemical System: Nb-Se-Tl
  • Density: 6.797808873969075
  • Atomic Density: 0.03204815417295849
  • Unit Cell Volume: 249.62436079236724
  • Molar Volume: 18.79091297270826
  • Full Formula: Nb1 Tl3 Se4
  • Reduced Formula: NbTl3Se4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m