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  1. Third-Parties
  2. MatprojStructure
  3. mp-550893

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-550893
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Hf', 'O']
  • Chemical System: Hf-O
  • Density: 10.692619907251203
  • Atomic Density: 0.0917756130448236
  • Unit Cell Volume: 32.68842234303341
  • Molar Volume: 6.561809352402539
  • Full Formula: Hf1 O2
  • Reduced Formula: HfO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -31.64635965
  • Final energy per atom: -10.54878655
  • 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.