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  1. Third-Parties
  2. MatprojStructure
  3. mp-568816

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-568816
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['K', 'Fe', 'Cu', 'C', 'N']
  • Chemical System: C-Cu-Fe-K-N
  • Density: 2.1927526833079396
  • Atomic Density: 0.059735884624188294
  • Unit Cell Volume: 267.8457028076097
  • Molar Volume: 10.081278276678457
  • Full Formula: K2 Fe1 Cu1 C6 N6
  • Reduced Formula: K2FeCu(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -122.12298437
  • Final energy per atom: -7.632686523125
  • 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.