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  1. Third-Parties
  2. MatprojStructure
  3. mp-579861

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-579861
  • 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: 100
  • Number of elements: 3
  • Element list: ['Rb', 'Mo', 'S']
  • Chemical System: Mo-Rb-S
  • Density: 4.789580841489149
  • Atomic Density: 0.045663984883104386
  • Unit Cell Volume: 2189.909624751121
  • Molar Volume: 13.18794401193003
  • Full Formula: Rb8 Mo42 S50
  • Reduced Formula: Rb4Mo21S25
  • Formula Anonymous: A4B21C25
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -772.4723917599999
  • Final energy per atom: -7.7247239175999995
  • 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.