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  1. Third-Parties
  2. MatprojStructure
  3. mp-757094

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-757094
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['La', 'Hf', 'O']
  • Chemical System: Hf-La-O
  • Density: 6.261190212356492
  • Atomic Density: 0.056246002059191794
  • Unit Cell Volume: 284.464662629035
  • Molar Volume: 10.706788997487253
  • Full Formula: La4 Hf2 O10
  • Reduced Formula: La2HfO5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -151.76511454
  • Final energy per atom: -9.48531965875
  • 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.