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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-78893
  • 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: 3
  • Number of elements: 2
  • Element list: ['Nb', 'S']
  • Chemical System: Nb-S
  • Density: 1.7913149071436023
  • Atomic Density: 0.020608378491722205
  • Unit Cell Volume: 145.5718605520087
  • Molar Volume: 29.22180783130959
  • Full Formula: Nb1 S2
  • Reduced Formula: NbS2
  • Formula Anonymous: AB2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2