Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-728890

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-728890
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Cu', 'Ag', 'C', 'S', 'N']
  • Chemical System: Ag-C-Cu-N-S
  • Density: 1.9732919243813414
  • Atomic Density: 0.044375619199054306
  • Unit Cell Volume: 676.0469046173745
  • Molar Volume: 13.570832066560412
  • Full Formula: Cu2 Ag2 C6 S6 N14
  • Reduced Formula: CuAgC3S3N7
  • Formula Anonymous: ABC3D3E7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -197.69496872
  • Final energy per atom: -6.589832290666666
  • 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.