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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079541

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-1079541
  • 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: 8
  • Number of elements: 4
  • Element list: ['Zn', 'Cu', 'Sn', 'S']
  • Chemical System: Cu-S-Sn-Zn
  • Density: 4.484004671190757
  • Atomic Density: 0.049156021321525245
  • Unit Cell Volume: 162.7471016759615
  • Molar Volume: 12.251074432183401
  • Full Formula: Zn1 Cu2 Sn1 S4
  • Reduced Formula: ZnCu2SnS4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -35.67560105
  • Final energy per atom: -4.45945013125
  • 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.