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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12126
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Nb', 'S']
  • Chemical System: Nb-S
  • Density: 3.999125264802522
  • Atomic Density: 0.05094261135447184
  • Unit Cell Volume: 314.0789130079703
  • Molar Volume: 11.821421399261201
  • Full Formula: Nb4 S12
  • Reduced Formula: NbS3
  • Formula Anonymous: AB3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1