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  1. Third-Parties
  2. MatprojStructure
  3. mp-567644

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-567644
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Rb', 'Cu', 'Br']
  • Chemical System: Br-Cu-Rb
  • Density: 4.276752123921144
  • Atomic Density: 0.03416777693605819
  • Unit Cell Volume: 351.2080994457696
  • Molar Volume: 17.62520509095419
  • Full Formula: Rb2 Cu4 Br6
  • Reduced Formula: RbCu2Br3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -40.75558886
  • Final energy per atom: -3.396299071666667
  • 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.