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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209423

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-1209423
  • 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: 32
  • Number of elements: 3
  • Element list: ['Rb', 'Ba', 'I']
  • Chemical System: Ba-I-Rb
  • Density: 4.358137457546045
  • Atomic Density: 0.021109312093046045
  • Unit Cell Volume: 1515.9186551863825
  • Molar Volume: 28.528361007007184
  • Full Formula: Rb4 Ba8 I20
  • Reduced Formula: RbBa2I5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -113.0408035
  • Final energy per atom: -3.532525109375
  • 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.