Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224053

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-1224053
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 5
  • Element list: ['In', 'Cu', 'Ag', 'Te', 'Se']
  • Chemical System: Ag-Cu-In-Se-Te
  • Density: 5.638061141463206
  • Atomic Density: 0.03336226044049385
  • Unit Cell Volume: 239.7919054156745
  • Molar Volume: 18.05075759402248
  • Full Formula: In2 Cu1 Ag1 Te2 Se2
  • Reduced Formula: In2CuAg(TeSe)2
  • Formula Anonymous: ABC2D2E2
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -30.17893616
  • Final energy per atom: -3.77236702
  • 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.