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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29434
  • 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: 13
  • Number of elements: 4
  • Element list: ['Cu', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Se
  • Density: 4.182651932857679
  • Atomic Density: 0.06352587765810433
  • Unit Cell Volume: 204.64101369784888
  • Molar Volume: 9.479822998134878
  • Full Formula: Cu3 Se2 Cl2 O6
  • Reduced Formula: Cu3Se2(ClO3)2
  • Formula Anonymous: A2B2C3D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m