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  1. Third-Parties
  2. MatprojStructure
  3. mp-707941

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-707941
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Na', 'H', 'S', 'O']
  • Chemical System: H-Na-O-S
  • Density: 2.3232836834799797
  • Atomic Density: 0.07473260201287812
  • Unit Cell Volume: 749.3382873294031
  • Molar Volume: 8.058251148491053
  • Full Formula: Na12 H4 S8 O32
  • Reduced Formula: Na3H(SO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -336.62985383
  • Final energy per atom: -6.0112473898214285
  • 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.