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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214534

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-1214534
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Ba', 'Lu', 'Zr', 'Al', 'O']
  • Chemical System: Al-Ba-Lu-O-Zr
  • Density: 5.989654567025948
  • Atomic Density: 0.059695881674741
  • Unit Cell Volume: 770.572419897165
  • Molar Volume: 10.088033866075115
  • Full Formula: Ba10 Lu4 Zr2 Al4 O26
  • Reduced Formula: Ba5Lu2ZrAl2O13
  • Formula Anonymous: AB2C2D5E13
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -359.79584571000004
  • Final energy per atom: -7.8216488197826095
  • 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.