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  1. Third-Parties
  2. MatprojStructure
  3. mp-1642504

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-1642504
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Li', 'Si', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Si
  • Density: 3.9668380155055356
  • Atomic Density: 0.12125528271918996
  • Unit Cell Volume: 395.8590415492345
  • Molar Volume: 4.966497644433706
  • Full Formula: Li14 Si4 Ni6 O24
  • Reduced Formula: Li7Si2(NiO4)3
  • Formula Anonymous: A2B3C7D12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -304.0782417
  • Final energy per atom: -6.3349633687499995
  • 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.