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  1. Third-Parties
  2. MatprojStructure
  3. mp-706653

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-706653
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['H', 'S', 'N', 'O']
  • Chemical System: H-N-O-S
  • Density: 1.7472884622768565
  • Atomic Density: 0.09926592619098162
  • Unit Cell Volume: 685.0286156517809
  • Molar Volume: 6.06667462953377
  • Full Formula: H32 S8 N8 O20
  • Reduced Formula: H8S2N2O5
  • Formula Anonymous: A2B2C5D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -376.7012849
  • Final energy per atom: -5.539724777941177
  • 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.