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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223610

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-1223610
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['K', 'Ga', 'Fe', 'C', 'N']
  • Chemical System: C-Fe-Ga-K-N
  • Density: 2.0229005875772206
  • Atomic Density: 0.056966824367468576
  • Unit Cell Volume: 263.3111493672427
  • Molar Volume: 10.571312034446136
  • Full Formula: K1 Ga1 Fe1 C6 N6
  • Reduced Formula: KGaFe(CN)6
  • Formula Anonymous: ABCD6E6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -120.01541777
  • Final energy per atom: -8.001027851333333
  • 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.