Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-567650

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-567650
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Mn', 'Fe', 'C', 'N']
  • Chemical System: C-Fe-Mn-N
  • Density: 2.634317203603146
  • Atomic Density: 0.07394176116411752
  • Unit Cell Volume: 202.8623576696629
  • Molar Volume: 8.144437818614504
  • Full Formula: Mn2 Fe1 C6 N6
  • Reduced Formula: Mn2Fe(CN)6
  • Formula Anonymous: AB2C6D6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -131.90645385
  • Final energy per atom: -8.79376359
  • 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.