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  1. Third-Parties
  2. MatprojStructure
  3. mp-677246

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-677246
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 4.199566398187822
  • Atomic Density: 0.06739635782098136
  • Unit Cell Volume: 1142.494972866752
  • Molar Volume: 8.935409797657094
  • Full Formula: Ba6 Ti2 Nb10 Si8 O51
  • Reduced Formula: Ba6Ti2Nb10Si8O51
  • Formula Anonymous: A2B6C8D10E51
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -676.3628909000001
  • Final energy per atom: -8.78393364805195
  • 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.