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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180458

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-1180458
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'Cu', 'C', 'N']
  • Chemical System: C-Cu-Fe-N-Na
  • Density: 1.653600692277295
  • Atomic Density: 0.049562637400103596
  • Unit Cell Volume: 322.823821315985
  • Molar Volume: 12.150565579037188
  • Full Formula: Na2 Fe1 Cu1 C6 N6
  • Reduced Formula: Na2FeCu(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -118.35661721
  • Final energy per atom: -7.397288575625
  • 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.