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  1. Third-Parties
  2. MatprojStructure
  3. mp-20623

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-20623
  • 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: 22
  • Number of elements: 4
  • Element list: ['K', 'Cd', 'C', 'N']
  • Chemical System: C-Cd-K-N
  • Density: 1.7561016757856258
  • Atomic Density: 0.03947723350336689
  • Unit Cell Volume: 557.2832249788651
  • Molar Volume: 15.254718290952152
  • Full Formula: K4 Cd2 C8 N8
  • Reduced Formula: K2Cd(CN)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -151.00837227
  • Final energy per atom: -6.864016921363636
  • 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.