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  1. Third-Parties
  2. MatprojStructure
  3. mp-6496

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-6496
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Cu', 'O']
  • Chemical System: Ba-Cu-Na-O
  • Density: 5.420245034499117
  • Atomic Density: 0.06703959917506147
  • Unit Cell Volume: 357.99736715800543
  • Molar Volume: 8.982960569728792
  • Full Formula: Ba4 Na2 Cu6 O12
  • Reduced Formula: Ba2Na(CuO2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -137.25810377
  • Final energy per atom: -5.719087657083333
  • 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.