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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-76794
  • 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: ['Ca', 'Pd', 'Au']
  • Chemical System: Au-Ca-Pd
  • Density: 10.1577947683966
  • Atomic Density: 0.04527619940923209
  • Unit Cell Volume: 88.34663801715601
  • Molar Volume: 13.30089724530202
  • Full Formula: Ca1 Pd1 Au2
  • Reduced Formula: CaPdAu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm