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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173859

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-1173859
  • 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: 68
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-Na-O-P
  • Density: 2.901606406811833
  • Atomic Density: 0.08121941582732982
  • Unit Cell Volume: 837.2382306290663
  • Molar Volume: 7.414656580149383
  • Full Formula: Na18 Fe4 P8 H2 O36
  • Reduced Formula: Na9Fe2P4HO18
  • Formula Anonymous: AB2C4D9E18
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -449.41120591
  • Final energy per atom: -6.608988322205882
  • 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.