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  1. Third-Parties
  2. MatprojStructure
  3. mp-780173

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-780173
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Na', 'Gd', 'O']
  • Chemical System: Gd-Na-O
  • Density: 3.3884414673335423
  • Atomic Density: 0.060695678669003626
  • Unit Cell Volume: 1318.0510005707342
  • Molar Volume: 9.921860817869753
  • Full Formula: Na40 Gd8 O32
  • Reduced Formula: Na5GdO4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -489.39142738
  • Final energy per atom: -6.11739284225
  • 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.