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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86852
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'Au']
  • Chemical System: Au-Ca-Cd
  • Density: 8.147896916305534
  • Atomic Density: 0.04212362299905312
  • Unit Cell Volume: 284.8757809903897
  • Molar Volume: 14.296350435325493
  • Full Formula: Ca4 Cd4 Au4
  • Reduced Formula: CaCdAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm