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  1. Third-Parties
  2. MatprojStructure
  3. mp-572159

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-572159
  • 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: 28
  • Number of elements: 5
  • Element list: ['K', 'Fe', 'C', 'N', 'O']
  • Chemical System: C-Fe-K-N-O
  • Density: 1.5247726682646094
  • Atomic Density: 0.050015811229257544
  • Unit Cell Volume: 559.8229702134863
  • Molar Volume: 12.04047402609608
  • Full Formula: K2 Fe2 C12 N6 O6
  • Reduced Formula: KFeC6(NO)3
  • Formula Anonymous: ABC3D3E6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -218.8918008
  • Final energy per atom: -7.817564314285714
  • 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.