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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225303

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-1225303
  • 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: 80
  • Number of elements: 7
  • Element list: ['K', 'Fe', 'P', 'H', 'N', 'O', 'F']
  • Chemical System: F-Fe-H-K-N-O-P
  • Density: 2.7306848549805425
  • Atomic Density: 0.0870203646816313
  • Unit Cell Volume: 919.325037221854
  • Molar Volume: 6.920380972927806
  • Full Formula: K1 Fe8 P8 H16 N7 O32 F8
  • Reduced Formula: KFe8P8H16N7(O4F)8
  • Formula Anonymous: AB7C8D8E8F16G32
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -537.84826975
  • Final energy per atom: -6.723103371875
  • 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.