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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120817

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-1120817
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 85
  • Number of elements: 4
  • Element list: ['Li', 'La', 'Zr', 'O']
  • Chemical System: La-Li-O-Zr
  • Density: 4.8453288164042
  • Atomic Density: 0.07555647690055017
  • Unit Cell Volume: 1124.9862816112998
  • Molar Volume: 7.970383224626171
  • Full Formula: Li17 La12 Zr8 O48
  • Reduced Formula: Li17La12Zr8O48
  • Formula Anonymous: A8B12C17D48
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -653.7601337
  • Final energy per atom: -7.691295690588235
  • 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.