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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120791

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-1120791
  • 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: 4
  • Number of elements: 3
  • Element list: ['Na', 'Cu', 'O']
  • Chemical System: Cu-Na-O
  • Density: 4.186874876764612
  • Atomic Density: 0.08508555778875833
  • Unit Cell Volume: 47.01150352602481
  • Molar Volume: 7.077747289323944
  • Full Formula: Na1 Cu1 O2
  • Reduced Formula: NaCuO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -19.80303357
  • Final energy per atom: -4.9507583925
  • 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.