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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196074

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-1196074
  • 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: 65
  • Number of elements: 5
  • Element list: ['Zn', 'Fe', 'H', 'S', 'O']
  • Chemical System: Fe-H-O-S-Zn
  • Density: 2.1324320135021626
  • Atomic Density: 0.10260017300276963
  • Unit Cell Volume: 633.5271968619912
  • Molar Volume: 5.8695230073709865
  • Full Formula: Zn1 Fe2 H28 S4 O30
  • Reduced Formula: ZnFe2H28(S2O15)2
  • Formula Anonymous: AB2C4D28E30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -374.22162663
  • Final energy per atom: -5.757255794307692
  • 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.