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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92711
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Zn', 'Si']
  • Chemical System: Ba-Si-Zn
  • Density: 5.0966631819477355
  • Atomic Density: 0.04731931680614823
  • Unit Cell Volume: 105.66509276715395
  • Molar Volume: 12.72660124124518
  • Full Formula: Ba1 Zn2 Si2
  • Reduced Formula: Ba(ZnSi)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm