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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25883
  • 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: 36
  • Number of elements: 4
  • Element list: ['Ba', 'Ru', 'Cl', 'O']
  • Chemical System: Ba-Cl-O-Ru
  • Density: 4.879613778877639
  • Atomic Density: 0.04792558417870715
  • Unit Cell Volume: 751.164552648154
  • Molar Volume: 12.565607416582264
  • Full Formula: Ba10 Ru4 Cl4 O18
  • Reduced Formula: Ba5Ru2Cl2O9
  • Formula Anonymous: A2B2C5D9
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm