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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196603

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-1196603
  • 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: 36
  • Number of elements: 3
  • Element list: ['Gd', 'Nb', 'Ge']
  • Chemical System: Gd-Ge-Nb
  • Density: 8.482728410026604
  • Atomic Density: 0.05202178236353976
  • Unit Cell Volume: 692.0178118547344
  • Molar Volume: 11.576190753934464
  • Full Formula: Gd8 Nb12 Ge16
  • Reduced Formula: Gd2Nb3Ge4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -333.88236663
  • Final energy per atom: -9.274510184166665
  • 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.