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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196831

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-1196831
  • 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: 80
  • Number of elements: 1
  • Element list: ['S']
  • Chemical System: S
  • Density: 1.6508298231044178
  • Atomic Density: 0.031004302413772913
  • Unit Cell Volume: 2580.2870495954758
  • Molar Volume: 19.423564767336316
  • Full Formula: S80
  • Reduced Formula: S
  • Formula Anonymous: A
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -330.07529879
  • Final energy per atom: -4.1259412348749995
  • 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.