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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224745

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-1224745
  • 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: 29
  • Number of elements: 4
  • Element list: ['Fe', 'Cu', 'Sb', 'S']
  • Chemical System: Cu-Fe-S-Sb
  • Density: 4.88132755666401
  • Atomic Density: 0.051633381964018295
  • Unit Cell Volume: 561.6521501576093
  • Molar Volume: 11.663270022088895
  • Full Formula: Fe2 Cu10 Sb4 S13
  • Reduced Formula: Fe2Cu10Sb4S13
  • Formula Anonymous: A2B4C10D13
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -140.51605264999998
  • Final energy per atom: -4.845381125862068
  • 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.