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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21459
  • 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: 20
  • Number of elements: 3
  • Element list: ['Nb', 'Co', 'S']
  • Chemical System: Co-Nb-S
  • Density: 5.190280476095348
  • Atomic Density: 0.05897000589910919
  • Unit Cell Volume: 339.1554688703554
  • Molar Volume: 10.212209865305391
  • Full Formula: Nb6 Co2 S12
  • Reduced Formula: Nb3CoS6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622