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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101141
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Nb', 'S']
  • Chemical System: Nb-S
  • Density: 5.51043391220518
  • Atomic Density: 0.057077190923376264
  • Unit Cell Volume: 122.64093391346478
  • Molar Volume: 10.55087095663918
  • Full Formula: Nb3 S4
  • Reduced Formula: Nb3S4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1