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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54345
  • 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: 18
  • Number of elements: 3
  • Element list: ['Zr', 'Sn', 'Ir']
  • Chemical System: Ir-Sn-Zr
  • Density: 11.41829898506971
  • Atomic Density: 0.051296107992981115
  • Unit Cell Volume: 350.9038152068565
  • Molar Volume: 11.739956491092881
  • Full Formula: Zr6 Sn6 Ir6
  • Reduced Formula: ZrSnIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m