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  1. Third-Parties
  2. MatprojStructure
  3. mp-684767

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-684767
  • 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: 28
  • Number of elements: 5
  • Element list: ['K', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-K-O-P
  • Density: 2.482361772903657
  • Atomic Density: 0.06660051882598236
  • Unit Cell Volume: 420.4171452952191
  • Molar Volume: 9.042182953161362
  • Full Formula: K6 P4 H2 O12 F4
  • Reduced Formula: K3P2H(O3F)2
  • Formula Anonymous: AB2C2D3E6
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -175.60380226
  • Final energy per atom: -6.271564366428572
  • 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.