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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205289

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-1205289
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 328
  • Number of elements: 6
  • Element list: ['Rb', 'Si', 'B', 'P', 'H', 'C']
  • Chemical System: B-C-H-P-Rb-Si
  • Density: 1.1003357879944706
  • Atomic Density: 0.08523761216568139
  • Unit Cell Volume: 3848.0665010001335
  • Molar Volume: 7.065121378921795
  • Full Formula: Rb8 Si16 B8 P8 H216 C72
  • Reduced Formula: RbSi2BP(H3C)9
  • Formula Anonymous: ABCD2E9F27
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1655.91252405
  • Final energy per atom: -5.048513792835366
  • 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.