Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-568663

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-568663
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Fe', 'Ag', 'C', 'N']
  • Chemical System: Ag-C-Fe-N
  • Density: 2.8713097322441663
  • Atomic Density: 0.05165919815102216
  • Unit Cell Volume: 309.7221902907801
  • Molar Volume: 11.657441415166144
  • Full Formula: Fe1 Ag3 C6 N6
  • Reduced Formula: FeAg3(CN)6
  • Formula Anonymous: AB3C6D6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -117.94235989
  • Final energy per atom: -7.371397493125
  • 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.