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  1. Third-Parties
  2. MatprojStructure
  3. mp-744565

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-744565
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 4
  • Element list: ['Sr', 'Fe', 'H', 'O']
  • Chemical System: Fe-H-O-Sr
  • Density: 2.499105674767149
  • Atomic Density: 0.07542694363117988
  • Unit Cell Volume: 1537.9119770146444
  • Molar Volume: 7.984071036269028
  • Full Formula: Sr12 Fe8 H48 O48
  • Reduced Formula: Sr3Fe2(HO)12
  • Formula Anonymous: A2B3C12D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -565.30735605
  • Final energy per atom: -4.873339276293103
  • 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.