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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86899
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 2
  • Element list: ['Zr', 'Sb']
  • Chemical System: Sb-Zr
  • Density: 7.741794331557168
  • Atomic Density: 0.04448869512505523
  • Unit Cell Volume: 404.59716674995764
  • Molar Volume: 13.536339384807981
  • Full Formula: Zr10 Sb8
  • Reduced Formula: Zr5Sb4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm