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  1. Third-Parties
  2. MatprojStructure
  3. mp-983327

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-983327
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['K', 'H', 'O', 'F']
  • Chemical System: F-H-K-O
  • Density: 1.6470558829225002
  • Atomic Density: 0.08430120696400403
  • Unit Cell Volume: 189.79562186852053
  • Molar Volume: 7.14359969077478
  • Full Formula: K2 H8 O4 F2
  • Reduced Formula: KH4O2F
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -80.05356504
  • Final energy per atom: -5.003347815
  • 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.