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  1. Third-Parties
  2. MatprojStructure
  3. mp-554603

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-554603
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Ce', 'S', 'O']
  • Chemical System: Ce-K-Na-O-S
  • Density: 3.1479163014256377
  • Atomic Density: 0.06700594094244246
  • Unit Cell Volume: 567.1138926717211
  • Molar Volume: 8.98747286479115
  • Full Formula: K5 Na1 Ce2 S6 O24
  • Reduced Formula: K5NaCe2(SO4)6
  • Formula Anonymous: AB2C5D6E24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -254.95464485
  • Final energy per atom: -6.709332759210526
  • 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.