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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8798
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'Nb', 'S']
  • Chemical System: Nb-S-Ti
  • Density: 3.8124878418359813
  • Atomic Density: 0.05120406643352395
  • Unit Cell Volume: 117.178193411446
  • Molar Volume: 11.761059578770542
  • Full Formula: Ti1 Nb1 S4
  • Reduced Formula: TiNbS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m