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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199469

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-1199469
  • 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: 80
  • Number of elements: 5
  • Element list: ['Na', 'H', 'Au', 'S', 'O']
  • Chemical System: Au-H-Na-O-S
  • Density: 2.9932738217765573
  • Atomic Density: 0.06851058157201109
  • Unit Cell Volume: 1167.7028301958355
  • Molar Volume: 8.790088511612126
  • Full Formula: Na12 H16 Au4 S16 O32
  • Reduced Formula: Na3H4Au(SO2)4
  • Formula Anonymous: AB3C4D4E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -427.7558449
  • Final energy per atom: -5.34694806125
  • 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.