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  1. Third-Parties
  2. MatprojStructure
  3. mp-850400

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-850400
  • 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: 36
  • Number of elements: 3
  • Element list: ['Na', 'Ni', 'O']
  • Chemical System: Na-Ni-O
  • Density: 3.456168605711719
  • Atomic Density: 0.07482286009898093
  • Unit Cell Volume: 481.1363793415098
  • Molar Volume: 8.04853055875369
  • Full Formula: Na12 Ni8 O16
  • Reduced Formula: Na3(NiO2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -186.7351895
  • Final energy per atom: -5.187088597222222
  • 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.