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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22923
  • 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: 38
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'S', 'O']
  • Chemical System: K-Nb-O-S
  • Density: 2.537941308833646
  • Atomic Density: 0.06159112839428282
  • Unit Cell Volume: 616.9719729234145
  • Molar Volume: 9.77761069978871
  • Full Formula: K7 Nb1 S6 O24
  • Reduced Formula: K7Nb(SO4)6
  • Formula Anonymous: AB6C7D24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3