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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215578

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-1215578
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Zn', 'Cd', 'S']
  • Chemical System: Cd-S-Zn
  • Density: 5.083357475424589
  • Atomic Density: 0.057287234849476024
  • Unit Cell Volume: 174.55895761551955
  • Molar Volume: 10.512186136795327
  • Full Formula: Zn4 Cd1 S5
  • Reduced Formula: Zn4CdS5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -33.91671908
  • Final energy per atom: -3.391671908
  • 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.