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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117388
  • 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: 11
  • Number of elements: 3
  • Element list: ['Cd', 'In', 'Se']
  • Chemical System: Cd-In-Se
  • Density: 5.280643821468925
  • Atomic Density: 0.033615110138223936
  • Unit Cell Volume: 327.2337932188369
  • Molar Volume: 17.914981492659724
  • Full Formula: Cd3 In2 Se6
  • Reduced Formula: Cd3(InSe3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3