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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23490
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'In', 'Ir']
  • Chemical System: Ca-In-Ir
  • Density: 8.100356353665317
  • Atomic Density: 0.04232256847257668
  • Unit Cell Volume: 283.5366669150885
  • Molar Volume: 14.229147656532486
  • Full Formula: Ca2 In8 Ir2
  • Reduced Formula: CaIn4Ir
  • Formula Anonymous: ABC4
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm