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  1. Third-Parties
  2. MatprojStructure
  3. mp-29784

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-29784
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'S']
  • Chemical System: K-Mo-S
  • Density: 4.651573396460788
  • Atomic Density: 0.04761178742565506
  • Unit Cell Volume: 924.1408982745123
  • Molar Volume: 12.64842402609535
  • Full Formula: K4 Mo18 S22
  • Reduced Formula: K2Mo9S11
  • Formula Anonymous: A2B9C11
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -336.1434955
  • Final energy per atom: -7.6396248977272725
  • 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.