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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54565
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'In', 'Pd']
  • Chemical System: Ca-In-Pd
  • Density: 6.344796535469522
  • Atomic Density: 0.04386557789423009
  • Unit Cell Volume: 273.56302084825455
  • Molar Volume: 13.728625152325028
  • Full Formula: Ca4 In4 Pd4
  • Reduced Formula: CaInPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm