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  1. Third-Parties
  2. MatprojStructure
  3. mp-32578

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-32578
  • 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: 40
  • Number of elements: 2
  • Element list: ['Ce', 'Se']
  • Chemical System: Ce-Se
  • Density: 6.497326696218183
  • Atomic Density: 0.03783301870953815
  • Unit Cell Volume: 1057.2775148369412
  • Molar Volume: 15.917685041827623
  • Full Formula: Ce16 Se24
  • Reduced Formula: Ce2Se3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -263.11590416
  • Final energy per atom: -6.577897604
  • 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.