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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191500

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-1191500
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Rb', 'Mg', 'Br', 'O']
  • Chemical System: Br-Mg-O-Rb
  • Density: 3.21080778470843
  • Atomic Density: 0.047745067768179744
  • Unit Cell Volume: 460.7805796154332
  • Molar Volume: 12.613115954175115
  • Full Formula: Rb2 Mg2 Br6 O12
  • Reduced Formula: RbMg(BrO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -93.31612907
  • Final energy per atom: -4.241642230454546
  • 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.