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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224487

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-1224487
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 6
  • Element list: ['K', 'Fe', 'Co', 'C', 'N', 'O']
  • Chemical System: C-Co-Fe-K-N-O
  • Density: 1.6455086398241505
  • Atomic Density: 0.04830389481494809
  • Unit Cell Volume: 641.7701951107836
  • Molar Volume: 12.46719500170904
  • Full Formula: K2 Fe2 Co2 C12 N12 O1
  • Reduced Formula: K2Fe2Co2C12N12O
  • Formula Anonymous: AB2C2D2E12F12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -238.54554258
  • Final energy per atom: -7.695017502580645
  • 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.