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  1. Third-Parties
  2. MatprojStructure
  3. mp-1522216

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-1522216
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['K', 'Pr', 'Hf', 'O']
  • Chemical System: Hf-K-O-Pr
  • Density: 7.482331154727937
  • Atomic Density: 0.07118626837269101
  • Unit Cell Volume: 140.4765304966635
  • Molar Volume: 8.459694401273403
  • Full Formula: K1 Pr1 Hf2 O6
  • Reduced Formula: KPrHf2O6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -91.06518649
  • Final energy per atom: -9.106518649
  • 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.