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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226696

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-1226696
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['Cs', 'Mo', 'S']
  • Chemical System: Cs-Mo-S
  • Density: 4.222163937401975
  • Atomic Density: 0.037597001873993424
  • Unit Cell Volume: 1010.7188899624823
  • Molar Volume: 16.017609010907947
  • Full Formula: Cs2 Mo18 S18
  • Reduced Formula: Cs(MoS)9
  • Formula Anonymous: AB9C9
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -305.31050109999995
  • Final energy per atom: -8.03448687105263
  • 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.