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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192391

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-1192391
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Rb', 'Li', 'Cd', 'C', 'O', 'F']
  • Chemical System: C-Cd-F-Li-O-Rb
  • Density: 3.4598638296449047
  • Atomic Density: 0.07721863991248411
  • Unit Cell Volume: 336.7062671586439
  • Molar Volume: 7.798817444628919
  • Full Formula: Rb2 Li4 Cd2 C4 O12 F2
  • Reduced Formula: RbLi2CdC2O6F
  • Formula Anonymous: ABCD2E2F6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -168.49891951
  • Final energy per atom: -6.480727673461539
  • 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.