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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-41146
  • 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: 8
  • Number of elements: 2
  • Element list: ['Zr', 'Zn']
  • Chemical System: Zn-Zr
  • Density: 7.234987813930567
  • Atomic Density: 0.06062962386971199
  • Unit Cell Volume: 131.94869915721947
  • Molar Volume: 9.932670492795863
  • Full Formula: Zr2 Zn6
  • Reduced Formula: ZrZn3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm