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  1. Third-Parties
  2. MatprojStructure
  3. mp-766236

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-766236
  • 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: 40
  • Number of elements: 3
  • Element list: ['Gd', 'Er', 'O']
  • Chemical System: Er-Gd-O
  • Density: 8.048746012847838
  • Atomic Density: 0.06506005984261362
  • Unit Cell Volume: 614.8165264028921
  • Molar Volume: 9.256279158931182
  • Full Formula: Gd8 Er8 O24
  • Reduced Formula: GdErO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -427.04269034999993
  • Final energy per atom: -10.676067258749999
  • 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.