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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196677

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-1196677
  • 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: 44
  • Number of elements: 5
  • Element list: ['Cs', 'Os', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-Cs-O-Os
  • Density: 3.1619915939419374
  • Atomic Density: 0.04078898677514586
  • Unit Cell Volume: 1078.7225542658175
  • Molar Volume: 14.764134233580661
  • Full Formula: Cs4 Os4 C12 Cl12 O12
  • Reduced Formula: CsOsC3(ClO)3
  • Formula Anonymous: ABC3D3E3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -301.38740892000004
  • Final energy per atom: -6.84971383909091
  • 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.