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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57848
  • 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: 23
  • Number of elements: 4
  • Element list: ['Ba', 'Ru', 'Cl', 'O']
  • Chemical System: Ba-Cl-O-Ru
  • Density: 5.160426439209536
  • Atomic Density: 0.051419447945640795
  • Unit Cell Volume: 447.3015739942397
  • Molar Volume: 11.71179582940377
  • Full Formula: Ba6 Ru3 Cl2 O12
  • Reduced Formula: Ba6Ru3(ClO6)2
  • Formula Anonymous: A2B3C6D12
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1