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  1. Third-Parties
  2. MatprojStructure
  3. mp-754424

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-754424
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'Ni', 'O']
  • Chemical System: Li-Nb-Ni-O
  • Density: 4.734028173355573
  • Atomic Density: 0.1073921780943134
  • Unit Cell Volume: 148.98664208066032
  • Molar Volume: 5.607615812309224
  • Full Formula: Li4 Nb1 Ni3 O8
  • Reduced Formula: Li4NbNi3O8
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -106.52158398
  • Final energy per atom: -6.65759899875
  • 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.