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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173652

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-1173652
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 6
  • Element list: ['Na', 'Mg', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-Mg-Na-O-P
  • Density: 2.005707983563118
  • Atomic Density: 0.08182168645901954
  • Unit Cell Volume: 1319.9434608829763
  • Molar Volume: 7.360078996924849
  • Full Formula: Na2 Mg4 Fe6 P8 H36 O52
  • Reduced Formula: NaMg2Fe3P4(H9O13)2
  • Formula Anonymous: AB2C3D4E18F26
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -644.6053958
  • Final energy per atom: -5.96856847962963
  • 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.