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  1. Third-Parties
  2. MatprojStructure
  3. mp-779502

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-779502
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Na', 'Cu', 'O']
  • Chemical System: Cu-Na-O
  • Density: 3.0483966149658217
  • Atomic Density: 0.06695306714423523
  • Unit Cell Volume: 716.9201060885661
  • Molar Volume: 8.994570401123912
  • Full Formula: Na24 Cu8 O16
  • Reduced Formula: Na3CuO2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -208.30044288
  • Final energy per atom: -4.33959256
  • 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.