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  1. Third-Parties
  2. MatprojStructure
  3. mp-801887

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-801887
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'H', 'S', 'O']
  • Chemical System: Fe-H-Na-O-S
  • Density: 2.8703768053515084
  • Atomic Density: 0.08385350811746224
  • Unit Cell Volume: 381.6179038708113
  • Molar Volume: 7.181739792644296
  • Full Formula: Na2 Fe4 H6 S4 O16
  • Reduced Formula: NaFe2H3(SO4)2
  • Formula Anonymous: AB2C2D3E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -167.10563875
  • Final energy per atom: -5.2220512109375
  • 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.