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  1. Third-Parties
  2. MatprojStructure
  3. mp-1177304

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-1177304
  • 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: 28
  • Number of elements: 4
  • Element list: ['Li', 'Si', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Si
  • Density: 2.91963012998963
  • Atomic Density: 0.09667342327404488
  • Unit Cell Volume: 289.6349281087009
  • Molar Volume: 6.229365378868134
  • Full Formula: Li8 Si4 Ni2 O14
  • Reduced Formula: Li4Si2NiO7
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -190.9679648
  • Final energy per atom: -6.820284457142857
  • 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.