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  1. Third-Parties
  2. MatprojStructure
  3. mp-558297

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-558297
  • 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: 40
  • Number of elements: 6
  • Element list: ['Na', 'Ce', 'Ti', 'Si', 'C', 'O']
  • Chemical System: C-Ce-Na-O-Si-Ti
  • Density: 4.111802042495023
  • Atomic Density: 0.08011233376120962
  • Unit Cell Volume: 499.29889845960264
  • Molar Volume: 7.517120619591685
  • Full Formula: Na4 Ce4 Ti2 Si2 C4 O24
  • Reduced Formula: Na2Ce2TiSi(CO6)2
  • Formula Anonymous: ABC2D2E2F12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -329.08706214
  • Final energy per atom: -8.2271765535
  • 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.