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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226413

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-1226413
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cr', 'Fe', 'Se', 'S']
  • Chemical System: Cr-Fe-S-Se
  • Density: 4.265408294299947
  • Atomic Density: 0.053675346498264255
  • Unit Cell Volume: 260.8273800422086
  • Molar Volume: 11.219565690544247
  • Full Formula: Cr4 Fe2 Se2 S6
  • Reduced Formula: Cr2FeSeS3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -98.75948497
  • Final energy per atom: -7.0542489264285715
  • 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.