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  1. Third-Parties
  2. MatprojStructure
  3. mp-998606

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-998606
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Rb', 'Tl', 'Br']
  • Chemical System: Br-Rb-Tl
  • Density: 4.464296591393343
  • Atomic Density: 0.02538377624597491
  • Unit Cell Volume: 393.9524168152756
  • Molar Volume: 23.72436906803781
  • Full Formula: Rb2 Tl2 Br6
  • Reduced Formula: RbTlBr3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -30.42998968
  • Final energy per atom: -3.042998968
  • 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.