Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-7331

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-7331
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Cs', 'Mg', 'Fe', 'C', 'N']
  • Chemical System: C-Cs-Fe-Mg-N
  • Density: 2.9014704311572466
  • Atomic Density: 0.0556837948249238
  • Unit Cell Volume: 287.3367386383386
  • Molar Volume: 10.814889284996287
  • Full Formula: Cs2 Mg1 Fe1 C6 N6
  • Reduced Formula: Cs2MgFe(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -124.6453214
  • Final energy per atom: -7.7903325875
  • 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.