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  1. Third-Parties
  2. MatprojStructure
  3. mp-560296

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-560296
  • 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: 54
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'S']
  • Chemical System: K-Mo-S
  • Density: 4.4292319414365195
  • Atomic Density: 0.04393268541716472
  • Unit Cell Volume: 1229.1531803084802
  • Molar Volume: 13.707654569295052
  • Full Formula: K2 Mo24 S28
  • Reduced Formula: K(Mo6S7)2
  • Formula Anonymous: AB12C14
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -428.91349049
  • Final energy per atom: -7.942842416481482
  • 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.