Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226589

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-1226589
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ce', 'Nd', 'Al', 'O']
  • Chemical System: Al-Ce-Nd-O
  • Density: 6.5996638034078305
  • Atomic Density: 0.09150933704708313
  • Unit Cell Volume: 109.27846624934926
  • Molar Volume: 6.580903057904905
  • Full Formula: Ce1 Nd1 Al2 O6
  • Reduced Formula: CeNdAl2O6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -84.37139615999999
  • Final energy per atom: -8.437139616
  • 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.