Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215746

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-1215746
  • 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: 16
  • Number of elements: 5
  • Element list: ['Zn', 'Cd', 'Cu', 'Sn', 'S']
  • Chemical System: Cd-Cu-S-Sn-Zn
  • Density: 4.5257191976352695
  • Atomic Density: 0.047094887911687845
  • Unit Cell Volume: 339.7396343739715
  • Molar Volume: 12.787249374693694
  • Full Formula: Zn1 Cd1 Cu4 Sn2 S8
  • Reduced Formula: ZnCdCu4(SnS4)2
  • Formula Anonymous: ABC2D4E8
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -70.54975027
  • Final energy per atom: -4.409359391875
  • 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.