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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5248
  • 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: 36
  • Number of elements: 2
  • Element list: ['Nb', 'Cl']
  • Chemical System: Cl-Nb
  • Density: 2.845708703946748
  • Atomic Density: 0.038058639038035975
  • Unit Cell Volume: 945.9087584298912
  • Molar Volume: 15.82332135939345
  • Full Formula: Nb6 Cl30
  • Reduced Formula: NbCl5
  • Formula Anonymous: AB5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m