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  1. Third-Parties
  2. MatprojStructure
  3. mp-557869

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-557869
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 1
  • Element list: ['S']
  • Chemical System: S
  • Density: 1.5833551030390092
  • Atomic Density: 0.029737056937035322
  • Unit Cell Volume: 1614.1476307367702
  • Molar Volume: 20.25130049941111
  • Full Formula: S48
  • Reduced Formula: S
  • Formula Anonymous: A
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -198.50822487
  • Final energy per atom: -4.1355880181249995
  • 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.