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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210546

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-1210546
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Mo', 'S', 'Cl']
  • Chemical System: Cl-Mo-S
  • Density: 4.607757411248138
  • Atomic Density: 0.050927878222036496
  • Unit Cell Volume: 235.627330627876
  • Molar Volume: 11.824841266201071
  • Full Formula: Mo4 S4 Cl4
  • Reduced Formula: MoSCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -82.34015983
  • Final energy per atom: -6.861679985833334
  • 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.