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  1. Third-Parties
  2. MatprojStructure
  3. mp-850378

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-850378
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['H', 'S', 'N', 'O']
  • Chemical System: H-N-O-S
  • Density: 1.8768025857114765
  • Atomic Density: 0.11340174537393603
  • Unit Cell Volume: 811.2749913736782
  • Molar Volume: 5.310448036000083
  • Full Formula: H44 S8 N12 O28
  • Reduced Formula: H11S2N3O7
  • Formula Anonymous: A2B3C7D11
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -522.87854197
  • Final energy per atom: -5.683462412717391
  • 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.