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  1. Third-Parties
  2. MatprojStructure
  3. mp-568906

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-568906
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 5
  • Element list: ['K', 'Co', 'Au', 'C', 'N']
  • Chemical System: Au-C-Co-K-N
  • Density: 4.4185058474641155
  • Atomic Density: 0.05353037077313893
  • Unit Cell Volume: 317.576728023159
  • Molar Volume: 11.249951519151178
  • Full Formula: K1 Co1 Au3 C6 N6
  • Reduced Formula: KCoAu3(CN)6
  • Formula Anonymous: ABC3D6E6
  • Spacegroup Number: 149
  • Spacegroup Symbol: P312
  • Crystal System: trigonal
  • Pointgroup: 312

Thermodynamics:

  • Final energy: -121.88289689
  • Final energy per atom: -7.16958217
  • 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.