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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196856

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-1196856
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['H', 'Au', 'C', 'N', 'O']
  • Chemical System: Au-C-H-N-O
  • Density: 3.1414209082263747
  • Atomic Density: 0.08437647805168227
  • Unit Cell Volume: 853.3183852008917
  • Molar Volume: 7.137226984410654
  • Full Formula: H36 Au6 C18 N6 O6
  • Reduced Formula: H6AuC3NO
  • Formula Anonymous: ABCD3E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -404.28687999
  • Final energy per atom: -5.615095555416667
  • 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.