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  1. Third-Parties
  2. MatprojStructure
  3. mp-556877

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-556877
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ba', 'Ru', 'Br', 'O']
  • Chemical System: Ba-Br-O-Ru
  • Density: 5.462345977992414
  • Atomic Density: 0.05217385034612748
  • Unit Cell Volume: 536.6673115793582
  • Molar Volume: 11.542450327220262
  • Full Formula: Ba7 Ru4 Br2 O15
  • Reduced Formula: Ba7Ru4Br2O15
  • Formula Anonymous: A2B4C7D15
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -193.99231654
  • Final energy per atom: -6.928297019285714
  • 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.