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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196630

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-1196630
  • 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: 62
  • Number of elements: 5
  • Element list: ['Fe', 'Cu', 'Sb', 'S', 'N']
  • Chemical System: Cu-Fe-N-S-Sb
  • Density: 3.469034603178629
  • Atomic Density: 0.04527623920408114
  • Unit Cell Volume: 1369.3716856768308
  • Molar Volume: 13.300885554684436
  • Full Formula: Fe2 Cu16 Sb6 S26 N12
  • Reduced Formula: FeCu8Sb3S13N6
  • Formula Anonymous: AB3C6D8E13
  • Spacegroup Number: 226
  • Spacegroup Symbol: Fm-3c
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -290.90383962000004
  • Final energy per atom: -4.691997413225807
  • 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.