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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-29960
  • 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: 24
  • Number of elements: 3
  • Element list: ['Nb', 'Ir', 'Se']
  • Chemical System: Ir-Nb-Se
  • Density: 6.821183901029243
  • Atomic Density: 0.04470617992155246
  • Unit Cell Volume: 536.8385319907374
  • Molar Volume: 13.470488354333263
  • Full Formula: Nb6 Ir2 Se16
  • Reduced Formula: Nb3IrSe8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m