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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226875

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-1226875
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cd', 'Si', 'Se', 'S']
  • Chemical System: Cd-S-Se-Si
  • Density: 4.763377187441541
  • Atomic Density: 0.03891727379192512
  • Unit Cell Volume: 565.3016734323447
  • Molar Volume: 15.474210223968784
  • Full Formula: Cd8 Si2 Se6 S6
  • Reduced Formula: Cd4Si(SeS)3
  • Formula Anonymous: AB3C3D4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -82.40075374
  • Final energy per atom: -3.7454888063636362
  • 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.