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  1. Third-Parties
  2. MatprojStructure
  3. mp-24123

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-24123
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Rb', 'B', 'H']
  • Chemical System: B-H-Rb
  • Density: 1.5995136223934658
  • Atomic Density: 0.08007500788070272
  • Unit Cell Volume: 324.6955659215831
  • Molar Volume: 7.5206246235678185
  • Full Formula: Rb2 B12 H12
  • Reduced Formula: Rb(BH)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 202
  • Spacegroup Symbol: Fm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -134.84243643
  • Final energy per atom: -5.186247555
  • 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.