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  1. Third-Parties
  2. MatprojStructure
  3. mp-744374

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-744374
  • 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: 108
  • Number of elements: 4
  • Element list: ['Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-O-P
  • Density: 2.8168195947423156
  • Atomic Density: 0.1008736543043064
  • Unit Cell Volume: 1070.6462529274045
  • Molar Volume: 5.969983740088326
  • Full Formula: Fe12 P8 H34 O54
  • Reduced Formula: Fe6P4H17O27
  • Formula Anonymous: A4B6C17D27
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -719.4781507099999
  • Final energy per atom: -6.661834728796295
  • 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.