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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226840

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-1226840
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cd', 'In', 'Se', 'S']
  • Chemical System: Cd-In-S-Se
  • Density: 4.9145731800765535
  • Atomic Density: 0.040056643309922944
  • Unit Cell Volume: 349.50507189732195
  • Molar Volume: 15.034062423568521
  • Full Formula: Cd2 In4 Se2 S6
  • Reduced Formula: CdIn2SeS3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -56.56430506
  • Final energy per atom: -4.040307504285715
  • 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.