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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238260

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-1238260
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 6
  • Element list: ['Cs', 'Mo', 'H', 'C', 'S', 'O']
  • Chemical System: C-Cs-H-Mo-O-S
  • Density: 2.6251913836048546
  • Atomic Density: 0.05547898157378125
  • Unit Cell Volume: 2018.7825519300802
  • Molar Volume: 10.854814903174066
  • Full Formula: Cs8 Mo8 H16 C16 S8 O56
  • Reduced Formula: CsMoH2C2SO7
  • Formula Anonymous: ABCD2E2F7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -762.6933718399999
  • Final energy per atom: -6.809762248571428
  • 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.