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  1. Third-Parties
  2. MatprojStructure
  3. mp-698842

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-698842
  • 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: 84
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'O']
  • Chemical System: Li-Ni-O
  • Density: 4.8790173910242745
  • Atomic Density: 0.11459265423603276
  • Unit Cell Volume: 733.0312798844907
  • Molar Volume: 5.255258986842094
  • Full Formula: Li19 Ni23 O42
  • Reduced Formula: Li19Ni23O42
  • Formula Anonymous: A19B23C42
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -500.63209533
  • Final energy per atom: -5.959905896785715
  • 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.