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  1. Third-Parties
  2. MatprojStructure
  3. mp-680493

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-680493
  • 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: 128
  • Number of elements: 4
  • Element list: ['K', 'Co', 'C', 'N']
  • Chemical System: C-Co-K-N
  • Density: 1.9097975211271154
  • Atomic Density: 0.05537138701673376
  • Unit Cell Volume: 2311.6632415459844
  • Molar Volume: 10.875907367427969
  • Full Formula: K24 Co8 C48 N48
  • Reduced Formula: K3Co(CN)6
  • Formula Anonymous: AB3C6D6
  • Spacegroup Number: 30
  • Spacegroup Symbol: Pnc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -963.65982861
  • Final energy per atom: -7.528592411015625
  • 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.