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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196843

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-1196843
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['Cr', 'Sb', 'H', 'C', 'O']
  • Chemical System: C-Cr-H-O-Sb
  • Density: 2.03715307164544
  • Atomic Density: 0.07101693335896667
  • Unit Cell Volume: 1577.088656220591
  • Molar Volume: 8.479865963178257
  • Full Formula: Cr4 Sb8 H48 C32 O20
  • Reduced Formula: CrSb2H12C8O5
  • Formula Anonymous: AB2C5D8E12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -676.5713914
  • Final energy per atom: -6.040815994642857
  • 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.