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-35754
  • 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: 4
  • Number of elements: 3
  • Element list: ['Nb', 'In', 'Se']
  • Chemical System: In-Nb-Se
  • Density: 6.619389444311387
  • Atomic Density: 0.043608377071379704
  • Unit Cell Volume: 91.72549561871246
  • Molar Volume: 13.809596147416244
  • Full Formula: Nb1 In1 Se2
  • Reduced Formula: NbInSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2