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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201872

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-1201872
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['K', 'H', 'O', 'F']
  • Chemical System: F-H-K-O
  • Density: 1.953976930594785
  • Atomic Density: 0.09329653065632998
  • Unit Cell Volume: 857.4809742356927
  • Molar Volume: 6.454838907336593
  • Full Formula: K8 H32 O32 F8
  • Reduced Formula: KH4O4F
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -396.44222109
  • Final energy per atom: -4.955527763625
  • 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.