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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198212

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-1198212
  • 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: 122
  • Number of elements: 7
  • Element list: ['Cs', 'Mo', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: C-Cs-F-H-Mo-O-S
  • Density: 2.1471928038014267
  • Atomic Density: 0.057562658770432054
  • Unit Cell Volume: 2119.4295504409047
  • Molar Volume: 10.461887773490695
  • Full Formula: Cs2 Mo4 H4 C14 S14 O42 F42
  • Reduced Formula: CsMo2H2C7S7(OF)21
  • Formula Anonymous: AB2C2D7E7F21G21
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -747.5416887700001
  • Final energy per atom: -6.127390891557377
  • 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.