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  1. Third-Parties
  2. MatprojStructure
  3. mp-695843

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-695843
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Sb', 'H', 'Br', 'O']
  • Chemical System: Br-H-O-Sb
  • Density: 3.377532056059418
  • Atomic Density: 0.052691198149324554
  • Unit Cell Volume: 1290.5381237923452
  • Molar Volume: 11.429120937682072
  • Full Formula: Sb4 H28 Br24 O12
  • Reduced Formula: SbH7(Br2O)3
  • Formula Anonymous: AB3C6D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -281.97386901
  • Final energy per atom: -4.146674544264705
  • 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.