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-29339
  • 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: 10
  • Number of elements: 3
  • Element list: ['Nb', 'Se', 'Br']
  • Chemical System: Br-Nb-Se
  • Density: 5.1487911492424825
  • Atomic Density: 0.037754687095726935
  • Unit Cell Volume: 264.8677758776021
  • Molar Volume: 15.950710291230525
  • Full Formula: Nb2 Se4 Br4
  • Reduced Formula: Nb(SeBr)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1