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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224019

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-1224019
  • 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: 36
  • Number of elements: 6
  • Element list: ['K', 'Fe', 'P', 'H', 'O', 'F']
  • Chemical System: F-Fe-H-K-O-P
  • Density: 2.679868874591912
  • Atomic Density: 0.07958627855388768
  • Unit Cell Volume: 452.33928076715495
  • Molar Volume: 7.566807833491577
  • Full Formula: K4 Fe2 P4 H6 O16 F4
  • Reduced Formula: K2FeP2H3(O4F)2
  • Formula Anonymous: AB2C2D2E3F8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -234.51712718
  • Final energy per atom: -6.5143646438888885
  • 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.