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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96990
  • 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: 13
  • Number of elements: 3
  • Element list: ['Zr', 'Si', 'Cu']
  • Chemical System: Cu-Si-Zr
  • Density: 5.798228346127816
  • Atomic Density: 0.06518537076232815
  • Unit Cell Volume: 199.431250416588
  • Molar Volume: 9.238485091934628
  • Full Formula: Zr3 Si6 Cu4
  • Reduced Formula: Zr3(Cu2Si3)2
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm