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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117171
  • 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: 20
  • Number of elements: 3
  • Element list: ['Zr', 'In', 'Au']
  • Chemical System: Au-In-Zr
  • Density: 11.137606900891042
  • Atomic Density: 0.048518750113004314
  • Unit Cell Volume: 412.2117728387127
  • Molar Volume: 12.411986594819364
  • Full Formula: Zr8 In4 Au8
  • Reduced Formula: Zr2InAu2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm