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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227780

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-1227780
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 4
  • Element list: ['Ce', 'Ti', 'Fe', 'H']
  • Chemical System: Ce-Fe-H-Ti
  • Density: 7.765274504738038
  • Atomic Density: 0.07864006682541529
  • Unit Cell Volume: 343.33643255849836
  • Molar Volume: 7.6578530551982364
  • Full Formula: Ce2 Ti2 Fe22 H1
  • Reduced Formula: Ce2Ti2Fe22H
  • Formula Anonymous: AB2C2D22
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -218.79397265000003
  • Final energy per atom: -8.10348046851852
  • 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.