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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22645
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Cd', 'In', 'Se']
  • Chemical System: Cd-In-Se
  • Density: 5.359635286606352
  • Atomic Density: 0.03434257659834033
  • Unit Cell Volume: 203.82862013732216
  • Molar Volume: 17.535494876907492
  • Full Formula: Cd1 In2 Se4
  • Reduced Formula: Cd(InSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m