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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15321
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'As']
  • Chemical System: As-Ca-Cu
  • Density: 4.922259057993068
  • Atomic Density: 0.04980666605281186
  • Unit Cell Volume: 120.46580258228842
  • Molar Volume: 12.091033665281872
  • Full Formula: Ca2 Cu2 As2
  • Reduced Formula: CaCuAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm