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  1. Third-Parties
  2. MatprojStructure
  3. mp-758619

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-758619
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['K', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-K-O-P
  • Density: 2.2332718112309116
  • Atomic Density: 0.06818210826821725
  • Unit Cell Volume: 821.329838902974
  • Molar Volume: 8.832435536181846
  • Full Formula: K8 P8 H8 O24 F8
  • Reduced Formula: KPHO3F
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -352.95739284
  • Final energy per atom: -6.3028105864285715
  • 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.