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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198672

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-1198672
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Os', 'Se', 'S', 'Cl']
  • Chemical System: Cl-Os-S-Se
  • Density: 3.3067599809761568
  • Atomic Density: 0.035336164576426125
  • Unit Cell Volume: 1018.7862896704058
  • Molar Volume: 17.04242900209255
  • Full Formula: Os4 Se4 S12 Cl16
  • Reduced Formula: OsSeS3Cl4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -165.05357056999998
  • Final energy per atom: -4.584821404722222
  • 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.