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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22878
  • 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: 32
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'Se']
  • Chemical System: K-Nb-Se
  • Density: 3.385518330995795
  • Atomic Density: 0.03100603502730832
  • Unit Cell Volume: 1032.0571453852856
  • Molar Volume: 19.42247938085617
  • Full Formula: K12 Nb4 Se16
  • Reduced Formula: K3NbSe4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm