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  1. Third-Parties
  2. MatprojStructure
  3. mp-778404

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-778404
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'Ni', 'O']
  • Chemical System: Na-Ni-O
  • Density: 2.2935562136223777
  • Atomic Density: 0.05053026510713526
  • Unit Cell Volume: 395.80239600159643
  • Molar Volume: 11.917888709334376
  • Full Formula: Na8 Ni4 O8
  • Reduced Formula: Na2NiO2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -99.47039663
  • Final energy per atom: -4.9735198315
  • 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.