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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173098

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-1173098
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 77
  • Number of elements: 5
  • Element list: ['Ba', 'Ti', 'Nb', 'Si', 'O']
  • Chemical System: Ba-Nb-O-Si-Ti
  • Density: 4.233405349650378
  • Atomic Density: 0.06793941914322676
  • Unit Cell Volume: 1133.3626482391928
  • Molar Volume: 8.863986233536085
  • Full Formula: Ba6 Ti2 Nb10 Si8 O51
  • Reduced Formula: Ba6Ti2Nb10Si8O51
  • Formula Anonymous: A2B6C8D10E51
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -676.0840460000001
  • Final energy per atom: -8.780312285714286
  • 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.