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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-80252
  • 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: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'Au']
  • Chemical System: Au-Ti-Zr
  • Density: 10.978384797668975
  • Atomic Density: 0.04961379710864355
  • Unit Cell Volume: 80.62273466473167
  • Molar Volume: 12.138036415178638
  • Full Formula: Zr1 Ti1 Au2
  • Reduced Formula: ZrTiAu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm