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-116608
  • 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: 30
  • Number of elements: 3
  • Element list: ['Nb', 'Se', 'Br']
  • Chemical System: Br-Nb-Se
  • Density: 4.946619528301198
  • Atomic Density: 0.03624444360866484
  • Unit Cell Volume: 827.7130785593849
  • Molar Volume: 16.615348893258513
  • Full Formula: Nb6 Se10 Br14
  • Reduced Formula: Nb3Se5Br7
  • Formula Anonymous: A3B5C7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m