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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223949

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-1223949
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 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: 2.810483636326562
  • Atomic Density: 0.055795967454961744
  • Unit Cell Volume: 286.75907471118103
  • Molar Volume: 10.793146950738052
  • Full Formula: K4 Rb2 C2 O6 F2
  • Reduced Formula: K2RbCO3F
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -95.08534361
  • Final energy per atom: -5.942833975625
  • 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.