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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200782

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-1200782
  • 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: 62
  • Number of elements: 4
  • Element list: ['Na', 'H', 'S', 'O']
  • Chemical System: H-Na-O-S
  • Density: 1.708479424111731
  • Atomic Density: 0.1114568530925138
  • Unit Cell Volume: 556.2690698663225
  • Molar Volume: 5.403113934143982
  • Full Formula: Na4 H32 S2 O24
  • Reduced Formula: Na2H16SO12
  • Formula Anonymous: AB2C12D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -331.58032717
  • Final energy per atom: -5.348069793064516
  • 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.