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  1. Third-Parties
  2. MatprojStructure
  3. mp-8590

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-8590
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['K', 'Hf', 'F']
  • Chemical System: F-Hf-K
  • Density: 3.2202850341161526
  • Atomic Density: 0.04708602877565067
  • Unit Cell Volume: 382.2790001204824
  • Molar Volume: 12.789655268431122
  • Full Formula: K4 Hf2 F12
  • Reduced Formula: K2HfF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -114.42935257
  • Final energy per atom: -6.357186253888889
  • 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.