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  1. Third-Parties
  2. MatprojStructure
  3. mp-1177872

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-1177872
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 4.835584964368905
  • Atomic Density: 0.1032315896711333
  • Unit Cell Volume: 309.9826332418494
  • Molar Volume: 5.83362203293085
  • Full Formula: Li4 Ni10 O18
  • Reduced Formula: Li2Ni5O9
  • Formula Anonymous: A2B5C9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -192.13072722
  • Final energy per atom: -6.004085225625
  • 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.