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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221801

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-1221801
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Na', 'H', 'S', 'O']
  • Chemical System: H-Na-O-S
  • Density: 1.523017855277064
  • Atomic Density: 0.08960456980492008
  • Unit Cell Volume: 580.3275448251161
  • Molar Volume: 6.720796465080882
  • Full Formula: Na4 H24 S2 O22
  • Reduced Formula: Na2H12SO11
  • Formula Anonymous: AB2C11D12
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -275.69378977
  • Final energy per atom: -5.301803649423078
  • 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.