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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200736

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-1200736
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['Rb', 'Na', 'B', 'H', 'O']
  • Chemical System: B-H-Na-O-Rb
  • Density: 2.1030972484714976
  • Atomic Density: 0.08008742111376377
  • Unit Cell Volume: 1148.7446932435803
  • Molar Volume: 7.51945895653898
  • Full Formula: Rb4 Na4 B16 H16 O52
  • Reduced Formula: RbNaB4H4O13
  • Formula Anonymous: ABC4D4E13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -574.0763223
  • Final energy per atom: -6.239960025
  • 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.