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  1. Third-Parties
  2. MatprojStructure
  3. mp-698033

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-698033
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['K', 'Al', 'P', 'H', 'O', 'F']
  • Chemical System: Al-F-H-K-O-P
  • Density: 2.3878751247567127
  • Atomic Density: 0.09995174585932837
  • Unit Cell Volume: 520.2510426699756
  • Molar Volume: 6.025048095183384
  • Full Formula: K2 Al4 P4 H16 O24 F2
  • Reduced Formula: KAl2P2H8O12F
  • Formula Anonymous: ABC2D2E8F12
  • Spacegroup Number: 32
  • Spacegroup Symbol: Pba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -333.39948255
  • Final energy per atom: -6.4115285105769235
  • 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.