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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107720
  • 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: 10
  • Number of elements: 2
  • Element list: ['Zr', 'Si']
  • Chemical System: Si-Zr
  • Density: 5.8313865029571375
  • Atomic Density: 0.05323355408316665
  • Unit Cell Volume: 187.851443929087
  • Molar Volume: 11.312678373102093
  • Full Formula: Zr6 Si4
  • Reduced Formula: Zr3Si2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm