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  1. Third-Parties
  2. MatprojStructure
  3. mp-707411

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-707411
  • 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: 127
  • Number of elements: 5
  • Element list: ['Zn', 'Fe', 'Cu', 'Ge', 'S']
  • Chemical System: Cu-Fe-Ge-S-Zn
  • Density: 4.32260213986976
  • Atomic Density: 0.05509782439083047
  • Unit Cell Volume: 2304.9911934659926
  • Molar Volume: 10.929906628041417
  • Full Formula: Zn3 Fe15 Cu39 Ge6 S64
  • Reduced Formula: Zn3Fe15Cu39(Ge3S32)2
  • Formula Anonymous: A3B6C15D39E64
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -654.1854719
  • Final energy per atom: -5.151066707874016
  • 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.