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  1. Third-Parties
  2. MatprojStructure
  3. mp-560411

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-560411
  • 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: 19
  • Number of elements: 4
  • Element list: ['Cd', 'Sb', 'S', 'I']
  • Chemical System: Cd-I-S-Sb
  • Density: 4.504565298794946
  • Atomic Density: 0.032070969561518094
  • Unit Cell Volume: 592.4360959388665
  • Molar Volume: 18.77754505815115
  • Full Formula: Cd1 Sb6 S8 I4
  • Reduced Formula: CdSb6(S2I)4
  • Formula Anonymous: AB4C6D8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -76.64027069000001
  • Final energy per atom: -4.033698457368422
  • 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.