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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215727

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-1215727
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'Sn', 'Hg', 'S']
  • Chemical System: Cu-Hg-S-Sn-Zn
  • Density: 4.961456723839151
  • Atomic Density: 0.047139987202235965
  • Unit Cell Volume: 339.4146021159946
  • Molar Volume: 12.77501568713696
  • Full Formula: Zn1 Cu4 Sn2 Hg1 S8
  • Reduced Formula: ZnCu4Sn2HgS8
  • Formula Anonymous: ABC2D4E8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -68.94104319
  • Final energy per atom: -4.308815199375
  • 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.