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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212727

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-1212727
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Fe', 'C', 'N']
  • Chemical System: C-Fe-N
  • Density: 1.443353581644173
  • Atomic Density: 0.053313205744152645
  • Unit Cell Volume: 243.84202410161447
  • Molar Volume: 11.295776864178729
  • Full Formula: Fe1 C6 N6
  • Reduced Formula: Fe(CN)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -100.97678728
  • Final energy per atom: -7.767445175384615
  • 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.