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  1. Third-Parties
  2. MatprojStructure
  3. mp-723378

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-723378
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['K', 'Al', 'H', 'O', 'F']
  • Chemical System: Al-F-H-K-O
  • Density: 2.1781171677424056
  • Atomic Density: 0.09621952514595775
  • Unit Cell Volume: 665.1456645926785
  • Molar Volume: 6.25875127825134
  • Full Formula: K4 Al4 H24 O8 F24
  • Reduced Formula: KAlH6(OF3)2
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -336.10037004000003
  • Final energy per atom: -5.2515682818750005
  • 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.