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  1. Third-Parties
  2. MatprojStructure
  3. mp-672209

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-672209
  • 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: 72
  • Number of elements: 5
  • Element list: ['Rb', 'C', 'S', 'O', 'F']
  • Chemical System: C-F-O-Rb-S
  • Density: 2.4556290691026867
  • Atomic Density: 0.056747270802425344
  • Unit Cell Volume: 1268.7834847719719
  • Molar Volume: 10.612212137861293
  • Full Formula: Rb8 C8 S8 O24 F24
  • Reduced Formula: RbCS(OF)3
  • Formula Anonymous: ABCD3E3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -423.15128963
  • Final energy per atom: -5.8771012448611115
  • 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.