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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24338
  • 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: 48
  • Number of elements: 6
  • Element list: ['Ba', 'Al', 'In', 'Ir', 'Cl', 'O']
  • Chemical System: Al-Ba-Cl-In-Ir-O
  • Density: 6.06045542354921
  • Atomic Density: 0.06230374101102653
  • Unit Cell Volume: 770.4192271777862
  • Molar Volume: 9.665777146406345
  • Full Formula: Ba10 Al4 In4 Ir2 Cl2 O26
  • Reduced Formula: Ba5Al2In2IrClO13
  • Formula Anonymous: ABC2D2E5F13
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm