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  1. Third-Parties
  2. MatprojStructure
  3. mp-1299546

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-1299546
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'O']
  • Chemical System: Li-Ni-O
  • Density: 4.742532803382868
  • Atomic Density: 0.11701019780467642
  • Unit Cell Volume: 273.4804367514802
  • Molar Volume: 5.146680266324034
  • Full Formula: Li8 Ni8 O16
  • Reduced Formula: LiNiO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -187.33598862
  • Final energy per atom: -5.854249644375
  • 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.