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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216035

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-1216035
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Zn', 'Fe', 'Cu', 'Sn', 'S']
  • Chemical System: Cu-Fe-S-Sn-Zn
  • Density: 4.485860324843103
  • Atomic Density: 0.04990033561272262
  • Unit Cell Volume: 480.95868906102
  • Molar Volume: 12.068337188627227
  • Full Formula: Zn1 Fe2 Cu6 Sn3 S12
  • Reduced Formula: ZnFe2Cu6(SnS4)3
  • Formula Anonymous: AB2C3D6E12
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -119.35576291
  • Final energy per atom: -4.9731567879166665
  • 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.