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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119583
  • 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: 30
  • Number of elements: 3
  • Element list: ['Nb', 'Ir', 'S']
  • Chemical System: Ir-Nb-S
  • Density: 4.6480383589180825
  • Atomic Density: 0.05029329238623162
  • Unit Cell Volume: 596.5010158732987
  • Molar Volume: 11.974043603573328
  • Full Formula: Nb9 Ir1 S20
  • Reduced Formula: Nb9IrS20
  • Formula Anonymous: AB9C20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1