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  1. Third-Parties
  2. MatprojStructure
  3. mp-707470

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-707470
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Na', 'H', 'S', 'O']
  • Chemical System: H-Na-O-S
  • Density: 2.208610594750318
  • Atomic Density: 0.0825879911814312
  • Unit Cell Volume: 1017.0970234094551
  • Molar Volume: 7.291787430415184
  • Full Formula: Na8 H16 S12 O48
  • Reduced Formula: Na2H4(SO4)3
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -502.21123971
  • Final energy per atom: -5.978705234642857
  • 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.