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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223558

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-1223558
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 6
  • Element list: ['K', 'H', 'W', 'N', 'O', 'F']
  • Chemical System: F-H-K-N-O-W
  • Density: 3.1594178225664513
  • Atomic Density: 0.09408465391146163
  • Unit Cell Volume: 191.3170666168247
  • Molar Volume: 6.400768360871197
  • Full Formula: K1 H8 W1 N2 O3 F3
  • Reduced Formula: KH8WN2(OF)3
  • Formula Anonymous: ABC2D3E3F8
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -104.47639852
  • Final energy per atom: -5.804244362222223
  • 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.