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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112658
  • 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: 29
  • Number of elements: 3
  • Element list: ['Nb', 'Zn', 'Se']
  • Chemical System: Nb-Se-Zn
  • Density: 6.499136918532137
  • Atomic Density: 0.04644793098831084
  • Unit Cell Volume: 624.3550440879312
  • Molar Volume: 12.965358481770787
  • Full Formula: Nb12 Zn1 Se16
  • Reduced Formula: Nb12ZnSe16
  • Formula Anonymous: AB12C16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1