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  1. Third-Parties
  2. MatprojStructure
  3. mp-753204

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-753204
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Si', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Si
  • Density: 2.7012933549784233
  • Atomic Density: 0.09377316169773488
  • Unit Cell Volume: 170.6245124972307
  • Molar Volume: 6.42203019602939
  • Full Formula: Li5 Si2 Ni1 O8
  • Reduced Formula: Li5Si2NiO8
  • Formula Anonymous: AB2C5D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -105.62892625
  • Final energy per atom: -6.601807890625
  • 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.