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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15531
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ca', 'As', 'Pd']
  • Chemical System: As-Ca-Pd
  • Density: 6.873690165844003
  • Atomic Density: 0.051388179563529604
  • Unit Cell Volume: 97.29864031899896
  • Molar Volume: 11.718922155152462
  • Full Formula: Ca1 As2 Pd2
  • Reduced Formula: Ca(AsPd)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm