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  1. Third-Parties
  2. MatprojStructure
  3. mp-975031

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-975031
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Rb', 'Be', 'H']
  • Chemical System: Be-H-Rb
  • Density: 1.6549314477572439
  • Atomic Density: 0.051106879555265064
  • Unit Cell Volume: 391.3367471080434
  • Molar Volume: 11.783424878225803
  • Full Formula: Rb4 Be4 H12
  • Reduced Formula: RbBeH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -63.45425530999999
  • Final energy per atom: -3.1727127654999996
  • 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.