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  1. Third-Parties
  2. MatprojStructure
  3. mp-757794

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-757794
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Li', 'Hf', 'O']
  • Chemical System: Hf-Li-O
  • Density: 5.158673823890299
  • Atomic Density: 0.08793124589258987
  • Unit Cell Volume: 318.43060695628805
  • Molar Volume: 6.84869263351072
  • Full Formula: Li12 Hf4 O12
  • Reduced Formula: Li3HfO3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -195.93122453
  • Final energy per atom: -6.997543733214286
  • 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.