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  1. Third-Parties
  2. MatprojStructure
  3. mp-6610

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-6610
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['K', 'Cu', 'C', 'N']
  • Chemical System: C-Cu-K-N
  • Density: 1.9533395724111666
  • Atomic Density: 0.04954518360483056
  • Unit Cell Volume: 484.4063187134914
  • Molar Volume: 12.154845984691947
  • Full Formula: K6 Cu2 C8 N8
  • Reduced Formula: K3Cu(CN)4
  • Formula Anonymous: AB3C4D4
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -164.03216023000002
  • Final energy per atom: -6.834673342916667
  • 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.