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  1. Third-Parties
  2. MatprojStructure
  3. mp-1290445

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-1290445
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Ni', 'O']
  • Chemical System: Li-Na-Ni-O
  • Density: 4.587180987645602
  • Atomic Density: 0.10199960429612513
  • Unit Cell Volume: 117.64751523115339
  • Molar Volume: 5.904082473218747
  • Full Formula: Na2 Li1 Ni3 O6
  • Reduced Formula: Na2Li(NiO2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -68.07525786000001
  • Final energy per atom: -5.672938155000001
  • 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.