Download Simmate

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

learn more

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-1224102
  • 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: 14
  • Number of elements: 4
  • Element list: ['In', 'Cu', 'Sn', 'S']
  • Chemical System: Cu-In-S-Sn
  • Density: 4.760892716358655
  • Atomic Density: 0.04718535612895985
  • Unit Cell Volume: 296.70222180240256
  • Molar Volume: 12.762732453562922
  • Full Formula: In2 Cu2 Sn2 S8
  • Reduced Formula: InCuSnS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -64.89093785
  • Final energy per atom: -4.635066989285714
  • 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.