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  1. Third-Parties
  2. MatprojStructure
  3. mp-1080370

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-1080370
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 2
  • Element list: ['Ce', 'Se']
  • Chemical System: Ce-Se
  • Density: 2.4528191330954394
  • Atomic Density: 0.014868561600034759
  • Unit Cell Volume: 3228.2880678846427
  • Molar Volume: 40.50251074714532
  • Full Formula: Ce16 Se32
  • Reduced Formula: CeSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -274.70460598
  • Final energy per atom: -5.723012624583333
  • 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.