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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204006

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-1204006
  • 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: 172
  • Number of elements: 4
  • Element list: ['Na', 'H', 'S', 'O']
  • Chemical System: H-Na-O-S
  • Density: 2.073290270055871
  • Atomic Density: 0.0743082777313343
  • Unit Cell Volume: 2314.681557038309
  • Molar Volume: 8.104266366895736
  • Full Formula: Na32 H40 S32 O68
  • Reduced Formula: Na8H10S8O17
  • Formula Anonymous: A8B8C10D17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -916.52084743
  • Final energy per atom: -5.328609578081395
  • 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.