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  1. Third-Parties
  2. MatprojStructure
  3. mp-556236

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-556236
  • 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: 44
  • Number of elements: 5
  • Element list: ['Na', 'Ce', 'C', 'O', 'F']
  • Chemical System: C-Ce-F-Na-O
  • Density: 3.8831738868160373
  • Atomic Density: 0.0845841116362169
  • Unit Cell Volume: 520.1922577284627
  • Molar Volume: 7.119706814325
  • Full Formula: Na6 Ce4 C8 O24 F2
  • Reduced Formula: Na3Ce2C4O12F
  • Formula Anonymous: AB2C3D4E12
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -339.61079651999995
  • Final energy per atom: -7.718427193636362
  • 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.