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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16879
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ga', 'Au']
  • Chemical System: Au-Ga-Zr
  • Density: 10.586081593422106
  • Atomic Density: 0.05343542044459115
  • Unit Cell Volume: 112.28507140168544
  • Molar Volume: 11.269941753793336
  • Full Formula: Zr2 Ga2 Au2
  • Reduced Formula: ZrGaAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2