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  1. Third-Parties
  2. MatprojStructure
  3. mp-755352

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-755352
  • 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: 12
  • Number of elements: 3
  • Element list: ['Li', 'Hf', 'O']
  • Chemical System: Hf-Li-O
  • Density: 6.523326584347466
  • Atomic Density: 0.09805972020150493
  • Unit Cell Volume: 122.37440587573526
  • Molar Volume: 6.14129914670874
  • Full Formula: Li4 Hf2 O6
  • Reduced Formula: Li2HfO3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -95.25262259
  • Final energy per atom: -7.937718549166667
  • 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.