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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196045

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-1196045
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Gd', 'Au', 'C', 'N', 'O']
  • Chemical System: Au-C-Gd-N-O
  • Density: 4.311654465964901
  • Atomic Density: 0.05180795136875741
  • Unit Cell Volume: 733.4781437220804
  • Molar Volume: 11.623970068099679
  • Full Formula: Gd2 Au6 C12 N12 O6
  • Reduced Formula: GdAu3C6(N2O)3
  • Formula Anonymous: AB3C3D6E6
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -280.83832621
  • Final energy per atom: -7.39048226868421
  • 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.