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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226396

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-1226396
  • 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: 7
  • Number of elements: 4
  • Element list: ['Cr', 'Fe', 'Se', 'S']
  • Chemical System: Cr-Fe-S-Se
  • Density: 5.896389104656953
  • Atomic Density: 0.057969336468192856
  • Unit Cell Volume: 120.75349532145886
  • Molar Volume: 10.388493515540382
  • Full Formula: Cr2 Fe1 Se3 S1
  • Reduced Formula: Cr2FeSe3S
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -47.22117658
  • Final energy per atom: -6.745882368571428
  • 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.