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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-80385
  • 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', 'Sb', 'Ru']
  • Chemical System: Ru-Sb-Zr
  • Density: 8.488804087277853
  • Atomic Density: 0.04925831618053092
  • Unit Cell Volume: 81.20456219697128
  • Molar Volume: 12.225632597608397
  • Full Formula: Zr1 Sb1 Ru2
  • Reduced Formula: ZrSbRu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm