Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224187

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-1224187
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['In', 'Cu', 'Te', 'Se']
  • Chemical System: Cu-In-Se-Te
  • Density: 5.626674679557064
  • Atomic Density: 0.03521175810573551
  • Unit Cell Volume: 227.19683510199138
  • Molar Volume: 17.102641515133765
  • Full Formula: In2 Cu2 Te2 Se2
  • Reduced Formula: InCuTeSe
  • Formula Anonymous: ABCD
  • Spacegroup Number: 24
  • Spacegroup Symbol: I2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -31.44300856
  • Final energy per atom: -3.93037607
  • 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.