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  1. Third-Parties
  2. MatprojStructure
  3. mp-779478

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-779478
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Na', 'Cu', 'O']
  • Chemical System: Cu-Na-O
  • Density: 3.0622961477821207
  • Atomic Density: 0.07442860877864967
  • Unit Cell Volume: 967.36995600882
  • Molar Volume: 8.091163947333504
  • Full Formula: Na36 Cu8 O28
  • Reduced Formula: Na9Cu2O7
  • Formula Anonymous: A2B7C9
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -316.08907142
  • Final energy per atom: -4.390125991944444
  • 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.