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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121162
  • 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: 3
  • Element list: ['Li', 'Nb', 'S']
  • Chemical System: Li-Nb-S
  • Density: 4.385027302332335
  • Atomic Density: 0.06005634572027475
  • Unit Cell Volume: 49.9530892867365
  • Molar Volume: 10.027484502719174
  • Full Formula: Li1 Nb1 S1
  • Reduced Formula: LiNbS
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2