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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22961
  • 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: 16
  • Number of elements: 2
  • Element list: ['Zr', 'Ge']
  • Chemical System: Ge-Zr
  • Density: 6.9990728659196755
  • Atomic Density: 0.05002599489956777
  • Unit Cell Volume: 319.8337190918764
  • Molar Volume: 12.038022976034869
  • Full Formula: Zr10 Ge6
  • Reduced Formula: Zr5Ge3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm