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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-574
  • 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: 3
  • Number of elements: 2
  • Element list: ['Nb', 'S']
  • Chemical System: Nb-S
  • Density: 4.3576134191721865
  • Atomic Density: 0.05013264072373901
  • Unit Cell Volume: 59.84125225981618
  • Molar Volume: 12.01241481210937
  • Full Formula: Nb1 S2
  • Reduced Formula: NbS2
  • Formula Anonymous: AB2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m