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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119156
  • 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: 15
  • Number of elements: 3
  • Element list: ['Nb', 'Tl', 'S']
  • Chemical System: Nb-S-Tl
  • Density: 6.035231424958649
  • Atomic Density: 0.05353559240825131
  • Unit Cell Volume: 280.1874290586553
  • Molar Volume: 11.248854246491579
  • Full Formula: Nb6 Tl1 S8
  • Reduced Formula: Nb6TlS8
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6