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  1. Third-Parties
  2. MatprojStructure
  3. mp-746739

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-746739
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Sr', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-O-P-Sr
  • Density: 3.365900477672199
  • Atomic Density: 0.07967132237939918
  • Unit Cell Volume: 1255.1567742756238
  • Molar Volume: 7.5587307705553535
  • Full Formula: Sr4 Fe12 P16 H4 O64
  • Reduced Formula: SrFe3P4HO16
  • Formula Anonymous: ABC3D4E16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -772.84206474
  • Final energy per atom: -7.728420647399999
  • 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.