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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226382

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-1226382
  • Created at: Sept. 4, 2022, 2:40 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', 'Cd', 'Se', 'S']
  • Chemical System: Cd-Cr-S-Se
  • Density: 4.53605581044868
  • Atomic Density: 0.04883497936353917
  • Unit Cell Volume: 286.67975665108156
  • Molar Volume: 12.33161319710971
  • Full Formula: Cr4 Cd2 Se2 S6
  • Reduced Formula: Cr2CdSeS3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -85.45563989
  • Final energy per atom: -6.103974277857143
  • 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.