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  1. Third-Parties
  2. MatprojStructure
  3. mp-696088

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-696088
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 4
  • Element list: ['Sb', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-O-Sb
  • Density: 2.1515817275688476
  • Atomic Density: 0.06687675172735717
  • Unit Cell Volume: 1285.947624229783
  • Molar Volume: 9.004834422208535
  • Full Formula: Sb4 H40 Cl24 O18
  • Reduced Formula: Sb2H20(Cl4O3)3
  • Formula Anonymous: A2B9C12D20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -391.22183652
  • Final energy per atom: -4.549091122325581
  • 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.