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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195398

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-1195398
  • 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: 108
  • Number of elements: 3
  • Element list: ['Ce', 'C', 'O']
  • Chemical System: C-Ce-O
  • Density: 5.271637223960315
  • Atomic Density: 0.08813411932665302
  • Unit Cell Volume: 1225.4051078642735
  • Molar Volume: 6.83292782183485
  • Full Formula: Ce18 C18 O72
  • Reduced Formula: CeCO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -931.76968598
  • Final energy per atom: -8.627497092407408
  • 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.