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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-123405
  • 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: 2
  • Number of elements: 2
  • Element list: ['Zr', 'Kr']
  • Chemical System: Kr-Zr
  • Density: 4.34972433150888
  • Atomic Density: 0.02993298236861159
  • Unit Cell Volume: 66.81592817484321
  • Molar Volume: 20.118746223947788
  • Full Formula: Zr1 Kr1
  • Reduced Formula: ZrKr
  • Formula Anonymous: AB
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2