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  1. Third-Parties
  2. MatprojStructure
  3. mp-761853

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-761853
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 5
  • Element list: ['Na', 'P', 'H', 'S', 'O']
  • Chemical System: H-Na-O-P-S
  • Density: 1.5406380602125087
  • Atomic Density: 0.09271030086995641
  • Unit Cell Volume: 1768.95122182853
  • Molar Volume: 6.4956544240398735
  • Full Formula: Na12 P4 H88 S12 O48
  • Reduced Formula: Na3PH22(SO4)3
  • Formula Anonymous: AB3C3D12E22
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -833.3828875900001
  • Final energy per atom: -5.0816029731097565
  • 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.