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  1. Third-Parties
  2. MatprojStructure
  3. mp-558183

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-558183
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Mo', 'S', 'N', 'Cl']
  • Chemical System: Cl-Mo-N-S
  • Density: 2.208546591148091
  • Atomic Density: 0.0364040966143775
  • Unit Cell Volume: 549.3887188537228
  • Molar Volume: 16.542480984465925
  • Full Formula: Mo2 S4 N4 Cl10
  • Reduced Formula: MoS2N2Cl5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -104.11752245
  • Final energy per atom: -5.205876122499999
  • 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.