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  1. Third-Parties
  2. MatprojStructure
  3. mp-6051

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-6051
  • 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: 22
  • Number of elements: 4
  • Element list: ['K', 'Hg', 'C', 'N']
  • Chemical System: C-Hg-K-N
  • Density: 2.3009254063950544
  • Atomic Density: 0.03981167432679869
  • Unit Cell Volume: 552.6017273076857
  • Molar Volume: 15.126569936663724
  • Full Formula: K4 Hg2 C8 N8
  • Reduced Formula: K2Hg(CN)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -147.64392621000002
  • Final energy per atom: -6.711087555000001
  • 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.