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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23726
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Sb', 'Pd']
  • Chemical System: Pd-Sb-Zr
  • Density: 8.830812168844687
  • Atomic Density: 0.04994965052812263
  • Unit Cell Volume: 240.24192107698065
  • Molar Volume: 12.056422209819901
  • Full Formula: Zr4 Sb4 Pd4
  • Reduced Formula: ZrSbPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm