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  1. Third-Parties
  2. MatprojStructure
  3. mp-744239

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-744239
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-O-P
  • Density: 3.350226627730835
  • Atomic Density: 0.09684403254594928
  • Unit Cell Volume: 722.8117020714449
  • Molar Volume: 6.2183911612134635
  • Full Formula: Fe10 P8 H12 O40
  • Reduced Formula: Fe5P4(H3O10)2
  • Formula Anonymous: A4B5C6D20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -504.57448066
  • Final energy per atom: -7.2082068665714285
  • 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.