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  1. Third-Parties
  2. MatprojStructure
  3. mp-755391

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-755391
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Na', 'O']
  • Chemical System: Ba-Na-O
  • Density: 3.615630360957872
  • Atomic Density: 0.05056501413984838
  • Unit Cell Volume: 197.76519734263016
  • Molar Volume: 11.909698558264967
  • Full Formula: Ba2 Na4 O4
  • Reduced Formula: BaNa2O2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -48.230165
  • Final energy per atom: -4.8230165
  • 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.