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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221080

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-1221080
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Na', 'Ce', 'Ti', 'O']
  • Chemical System: Ce-Na-O-Ti
  • Density: 5.082864226224918
  • Atomic Density: 0.08626438479195445
  • Unit Cell Volume: 115.9226953755852
  • Molar Volume: 6.9810278883037515
  • Full Formula: Na1 Ce1 Ti2 O6
  • Reduced Formula: NaCeTi2O6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -86.72697776999999
  • Final energy per atom: -8.672697777
  • 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.