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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101044
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Zr', 'Si']
  • Chemical System: Si-Zr
  • Density: 6.283594946841842
  • Atomic Density: 0.05016040133124541
  • Unit Cell Volume: 159.48835710404734
  • Molar Volume: 12.005766700771488
  • Full Formula: Zr6 Si2
  • Reduced Formula: Zr3Si
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm