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  1. Third-Parties
  2. MatprojStructure
  3. mp-29095

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-29095
  • 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: 40
  • Number of elements: 3
  • Element list: ['H', 'S', 'O']
  • Chemical System: H-O-S
  • Density: 1.8699966783431756
  • Atomic Density: 0.09700248507419125
  • Unit Cell Volume: 412.36056962258704
  • Molar Volume: 6.2082334853524985
  • Full Formula: H16 S4 O20
  • Reduced Formula: H4SO5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -229.06662954
  • Final energy per atom: -5.7266657385
  • 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.