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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57694
  • 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: 16
  • Number of elements: 2
  • Element list: ['Zr', 'Sb']
  • Chemical System: Sb-Zr
  • Density: 7.490625251082806
  • Atomic Density: 0.04393435564452876
  • Unit Cell Volume: 364.1796895681231
  • Molar Volume: 13.70713345320213
  • Full Formula: Zr10 Sb6
  • Reduced Formula: Zr5Sb3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm