Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215504

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-1215504
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 5.339715965289199
  • Atomic Density: 0.033463261535463286
  • Unit Cell Volume: 119.53407457790476
  • Molar Volume: 17.996275568112
  • Full Formula: Zn1 Cd1 Te1 Se1
  • Reduced Formula: ZnCdTeSe
  • Formula Anonymous: ABCD
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -11.67037898
  • Final energy per atom: -2.917594745
  • 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.