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  1. Third-Parties
  2. MatprojStructure
  3. mp-561944

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-561944
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 3
  • Element list: ['Ba', 'Ru', 'O']
  • Chemical System: Ba-O-Ru
  • Density: 6.58445919887109
  • Atomic Density: 0.0805136494801066
  • Unit Cell Volume: 943.9393257012671
  • Molar Volume: 7.479651958253311
  • Full Formula: Ba4 Ru24 O48
  • Reduced Formula: Ba(RuO2)6
  • Formula Anonymous: AB6C12
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -588.89185792
  • Final energy per atom: -7.748577077894737
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.