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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226331

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-1226331
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Cr', 'Fe', 'Cu', 'Se', 'S']
  • Chemical System: Cr-Cu-Fe-S-Se
  • Density: 4.799242297138056
  • Atomic Density: 0.05244807252516219
  • Unit Cell Volume: 266.93068640956136
  • Molar Volume: 11.482101190869983
  • Full Formula: Cr4 Fe1 Cu1 Se4 S4
  • Reduced Formula: Cr4FeCu(SeS)4
  • Formula Anonymous: ABC4D4E4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -92.75173585
  • Final energy per atom: -6.625123989285714
  • 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.