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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102195
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Mg', 'In', 'Se']
  • Chemical System: In-Mg-Se
  • Density: 4.859927616717878
  • Atomic Density: 0.035955951042559074
  • Unit Cell Volume: 194.6826546658295
  • Molar Volume: 16.748662141829943
  • Full Formula: Mg1 In2 Se4
  • Reduced Formula: Mg(InSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m