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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223355

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-1223355
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['K', 'Rb', 'C', 'O', 'F']
  • Chemical System: C-F-K-O-Rb
  • Density: 3.183117755291638
  • Atomic Density: 0.053055918595472935
  • Unit Cell Volume: 301.56861710363864
  • Molar Volume: 11.350554131229098
  • Full Formula: K2 Rb4 C2 O6 F2
  • Reduced Formula: KRb2CO3F
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -94.61537473
  • Final energy per atom: -5.913460920625
  • 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.