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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224205

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-1224205
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['K', 'Mo', 'S', 'Cl', 'O']
  • Chemical System: Cl-K-Mo-O-S
  • Density: 2.3351433688471115
  • Atomic Density: 0.03546515892987775
  • Unit Cell Volume: 1015.0807464638674
  • Molar Volume: 16.980442049920228
  • Full Formula: K12 Mo4 S11 Cl4 O5
  • Reduced Formula: K12Mo4S11Cl4O5
  • Formula Anonymous: A4B4C5D11E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -190.25102537
  • Final energy per atom: -5.284750704722223
  • 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.