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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214578

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-1214578
  • 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: 49
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Ti', 'Si', 'O']
  • Chemical System: Ba-Na-O-Si-Ti
  • Density: 2.8913224560686057
  • Atomic Density: 0.07470793470184553
  • Unit Cell Volume: 655.887493016047
  • Molar Volume: 8.06091184829827
  • Full Formula: Ba1 Na4 Ti2 Si12 O30
  • Reduced Formula: BaNa4Ti2(Si2O5)6
  • Formula Anonymous: AB2C4D12E30
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -389.20966143
  • Final energy per atom: -7.943054314897958
  • 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.