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  1. Third-Parties
  2. MatprojStructure
  3. mp-542188

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-542188
  • 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: 28
  • Number of elements: 3
  • Element list: ['Cr', 'Mo', 'S']
  • Chemical System: Cr-Mo-S
  • Density: 5.2745184519334325
  • Atomic Density: 0.05974890584067535
  • Unit Cell Volume: 468.6278285106001
  • Molar Volume: 10.079081240514196
  • Full Formula: Cr4 Mo8 S16
  • Reduced Formula: Cr(MoS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -218.44402234
  • Final energy per atom: -7.801572226428571
  • 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.