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  1. Third-Parties
  2. MatprojStructure
  3. mp-30055

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-30055
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Rb', 'Br', 'O']
  • Chemical System: Br-O-Rb
  • Density: 3.369879003228484
  • Atomic Density: 0.028801439127237344
  • Unit Cell Volume: 173.60243625019177
  • Molar Volume: 20.909166147551627
  • Full Formula: Rb3 Br1 O1
  • Reduced Formula: Rb3BrO
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -17.02853777
  • Final energy per atom: -3.405707554
  • 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.