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  1. Third-Parties
  2. MatprojStructure
  3. mp-720729

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-720729
  • 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: 116
  • Number of elements: 5
  • Element list: ['K', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-K-O-P
  • Density: 2.977578184764867
  • Atomic Density: 0.07616627004522267
  • Unit Cell Volume: 1522.9838605871944
  • Molar Volume: 7.906571710055433
  • Full Formula: K12 Fe12 P16 H8 O68
  • Reduced Formula: K3Fe3P4H2O17
  • Formula Anonymous: A2B3C3D4E17
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -837.2951812800001
  • Final energy per atom: -7.218061907586208
  • 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.