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  1. Third-Parties
  2. MatprojStructure
  3. mp-28407

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-28407
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['S', 'Br', 'O']
  • Chemical System: Br-O-S
  • Density: 2.567987007321028
  • Atomic Density: 0.029758215584719624
  • Unit Cell Volume: 1075.333294393885
  • Molar Volume: 20.23690144610779
  • Full Formula: S8 Br16 O8
  • Reduced Formula: SBr2O
  • Formula Anonymous: ABC2
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -126.94622481
  • Final energy per atom: -3.9670695253125
  • 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.