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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247741

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-1247741
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Ba', 'Na']
  • Chemical System: Ba-Na
  • Density: 2.2517646028535263
  • Atomic Density: 0.016917061717694356
  • Unit Cell Volume: 1418.6860815727393
  • Molar Volume: 35.598030322849496
  • Full Formula: Ba12 Na12
  • Reduced Formula: BaNa
  • Formula Anonymous: AB
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -34.93883001
  • Final energy per atom: -1.4557845837499999
  • 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.