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  1. Third-Parties
  2. MatprojStructure
  3. mp-1080329

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-1080329
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ce', 'Se']
  • Chemical System: Ce-Se
  • Density: 2.494504164251284
  • Atomic Density: 0.015121248985409915
  • Unit Cell Volume: 793.5852396570201
  • Molar Volume: 39.82568348560758
  • Full Formula: Ce4 Se8
  • Reduced Formula: CeSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -68.62094391
  • Final energy per atom: -5.718411992499999
  • 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.