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  1. Third-Parties
  2. MatprojStructure
  3. mp-691045

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-691045
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Na', 'Ce', 'Ti', 'Nb', 'O']
  • Chemical System: Ce-Na-Nb-O-Ti
  • Density: 4.9304799674403474
  • Atomic Density: 0.085303753399952
  • Unit Cell Volume: 468.912543771169
  • Molar Volume: 7.059643356799103
  • Full Formula: Na5 Ce3 Ti6 Nb2 O24
  • Reduced Formula: Na5Ce3Ti6Nb2O24
  • Formula Anonymous: A2B3C5D6E24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -342.84889148
  • Final energy per atom: -8.571222287000001
  • 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.