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-1215527
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['Zn', 'Cd', 'Te', 'Se']
  • Chemical System: Cd-Se-Te-Zn
  • Density: 5.348804983095197
  • Atomic Density: 0.03352022115315076
  • Unit Cell Volume: 119.33095493983689
  • Molar Volume: 17.965695191822878
  • Full Formula: Zn1 Cd1 Te1 Se1
  • Reduced Formula: ZnCdTeSe
  • Formula Anonymous: ABCD
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -11.6840021
  • Final energy per atom: -2.921000525
  • 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.