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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193859

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-1193859
  • 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: 28
  • Number of elements: 6
  • Element list: ['Na', 'Fe', 'H', 'S', 'O', 'F']
  • Chemical System: F-Fe-H-Na-O-S
  • Density: 2.5920164900833997
  • Atomic Density: 0.09504471797368251
  • Unit Cell Volume: 294.5981701766224
  • Molar Volume: 6.336113030150193
  • Full Formula: Na2 Fe2 H8 S2 O12 F2
  • Reduced Formula: NaFeH4SO6F
  • Formula Anonymous: ABCDE4F6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -168.01446049
  • Final energy per atom: -6.000516446071429
  • 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.