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  1. Third-Parties
  2. MatprojStructure
  3. mp-541483

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-541483
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Rb', 'Sc', 'H', 'O']
  • Chemical System: H-O-Rb-Sc
  • Density: 2.9677775529796535
  • Atomic Density: 0.07088636853801113
  • Unit Cell Volume: 451.4267081242956
  • Molar Volume: 8.495484934837323
  • Full Formula: Rb6 Sc2 H12 O12
  • Reduced Formula: Rb3Sc(HO)6
  • Formula Anonymous: AB3C6D6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -177.63463537
  • Final energy per atom: -5.5510823553125
  • 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.