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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227624

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-1227624
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Fe', 'Cu', 'Ge', 'S']
  • Chemical System: Cu-Fe-Ge-S
  • Density: 4.514008546088927
  • Atomic Density: 0.05620370492290586
  • Unit Cell Volume: 1174.2998097817863
  • Molar Volume: 10.71484658931385
  • Full Formula: Fe4 Cu26 Ge4 S32
  • Reduced Formula: Fe2Cu13(GeS8)2
  • Formula Anonymous: A2B2C13D16
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -325.22502697
  • Final energy per atom: -4.927651923787878
  • 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.