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  1. Third-Parties
  2. MatprojStructure
  3. mp-649950

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-649950
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ru', 'C', 'Br', 'O']
  • Chemical System: Br-C-O-Ru
  • Density: 3.058039176448292
  • Atomic Density: 0.04805436151834335
  • Unit Cell Volume: 374.57578107928924
  • Molar Volume: 12.531933771924582
  • Full Formula: Ru2 C6 Br4 O6
  • Reduced Formula: RuC3Br2O3
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -128.89734374
  • Final energy per atom: -7.160963541111111
  • 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.