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  1. Third-Parties
  2. MatprojStructure
  3. mp-680586

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-680586
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 2
  • Element list: ['Ce', 'Mg']
  • Chemical System: Ce-Mg
  • Density: 2.4564613918898868
  • Atomic Density: 0.04009729558711652
  • Unit Cell Volume: 1147.209539358062
  • Molar Volume: 15.018820276584806
  • Full Formula: Ce5 Mg41
  • Reduced Formula: Ce5Mg41
  • Formula Anonymous: A5B41
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -92.39227442
  • Final energy per atom: -2.0085277047826087
  • 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.