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  1. Third-Parties
  2. MatprojStructure
  3. mp-541794

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-541794
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 6
  • Element list: ['K', 'Fe', 'B', 'P', 'H', 'O']
  • Chemical System: B-Fe-H-K-O-P
  • Density: 3.0171689610867665
  • Atomic Density: 0.08715811935381197
  • Unit Cell Volume: 344.20201149840335
  • Molar Volume: 6.909443210395078
  • Full Formula: K2 Fe2 B2 P4 H2 O18
  • Reduced Formula: KFeBP2HO9
  • Formula Anonymous: ABCDE2F9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -223.63940215
  • Final energy per atom: -7.4546467383333335
  • 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.