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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110113
  • 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: 3
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'Cu']
  • Chemical System: Cu-Ti-Zr
  • Density: 6.514288002158324
  • Atomic Density: 0.058079165177732074
  • Unit Cell Volume: 51.65363501385553
  • Molar Volume: 10.368848693970085
  • Full Formula: Zr1 Ti1 Cu1
  • Reduced Formula: ZrTiCu
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm