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  1. Third-Parties
  2. MatprojStructure
  3. mp-29309

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-29309
  • 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: 72
  • Number of elements: 3
  • Element list: ['Si', 'H', 'S']
  • Chemical System: H-S-Si
  • Density: 1.0340410800486115
  • Atomic Density: 0.05944219849853506
  • Unit Cell Volume: 1211.2607174476298
  • Molar Volume: 10.131086857678078
  • Full Formula: Si16 H48 S8
  • Reduced Formula: Si2H6S
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -302.99480755
  • Final energy per atom: -4.208261215972223
  • 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.