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  1. Third-Parties
  2. MatprojStructure
  3. mp-505248

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-505248
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Rb', 'Cr', 'H', 'O']
  • Chemical System: Cr-H-O-Rb
  • Density: 2.5772969795077096
  • Atomic Density: 0.06050369878900054
  • Unit Cell Volume: 528.8932848815772
  • Molar Volume: 9.953343151798869
  • Full Formula: Rb6 Cr2 H12 O12
  • Reduced Formula: Rb3Cr(HO)6
  • Formula Anonymous: AB3C6D6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -151.10981483999998
  • Final energy per atom: -4.7221817137499995
  • 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.