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  1. Third-Parties
  2. MatprojStructure
  3. mp-757924

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-757924
  • 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: 28
  • Number of elements: 4
  • Element list: ['Sb', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-O-Sb
  • Density: 2.247370150768835
  • Atomic Density: 0.0510006181405164
  • Unit Cell Volume: 549.0129535852816
  • Molar Volume: 11.807976019835403
  • Full Formula: Sb2 H10 Cl12 O4
  • Reduced Formula: SbH5(Cl3O)2
  • Formula Anonymous: AB2C5D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -117.58242066
  • Final energy per atom: -4.199372166428572
  • 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.