Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-752459

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-752459
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Gd', 'Y', 'O']
  • Chemical System: Gd-O-Y
  • Density: 6.55768800041045
  • Atomic Density: 0.063441892285617
  • Unit Cell Volume: 630.4982174856794
  • Molar Volume: 9.492372536569638
  • Full Formula: Gd10 Y6 O24
  • Reduced Formula: Gd5Y3O12
  • Formula Anonymous: A3B5C12
  • Spacegroup Number: 24
  • Spacegroup Symbol: I2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -455.55906247
  • Final energy per atom: -11.38897656175
  • 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.