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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9753
  • 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: 16
  • Number of elements: 4
  • Element list: ['K', 'Ta', 'Cu', 'Se']
  • Chemical System: Cu-K-Se-Ta
  • Density: 5.283897792639892
  • Atomic Density: 0.03839689116734088
  • Unit Cell Volume: 416.7004023911464
  • Molar Volume: 15.683927987175775
  • Full Formula: K2 Ta2 Cu4 Se8
  • Reduced Formula: KTa(CuSe2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2