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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10482
  • 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: 12
  • Number of elements: 3
  • Element list: ['Cd', 'Cu', 'F']
  • Chemical System: Cd-Cu-F
  • Density: 5.552070030655091
  • Atomic Density: 0.07962357433616137
  • Unit Cell Volume: 150.70913482654535
  • Molar Volume: 7.563263531193952
  • Full Formula: Cd2 Cu2 F8
  • Reduced Formula: CdCuF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm