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  1. Third-Parties
  2. MatprojStructure
  3. mp-1099574

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-1099574
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 2
  • Element list: ['Ce', 'Se']
  • Chemical System: Ce-Se
  • Density: 1.7488275295211897
  • Atomic Density: 0.010601087336475312
  • Unit Cell Volume: 4527.8374261521
  • Molar Volume: 56.80682149725845
  • Full Formula: Ce16 Se32
  • Reduced Formula: CeSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -274.710651
  • Final energy per atom: -5.7231385625
  • 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.