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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228410

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-1228410
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Ce', 'Si', 'N', 'O']
  • Chemical System: Ce-N-O-Si
  • Density: 5.0121551482883255
  • Atomic Density: 0.06853066054229223
  • Unit Cell Volume: 1108.992666911451
  • Molar Volume: 8.787513081511252
  • Full Formula: Ce16 Si16 N24 O20
  • Reduced Formula: Ce4Si4N6O5
  • Formula Anonymous: A4B4C5D6
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -664.50255659
  • Final energy per atom: -8.743454691973685
  • 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.