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  1. Third-Parties
  2. MatprojStructure
  3. mp-555764

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-555764
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Si', 'O']
  • Chemical System: Ba-Nb-O-Si
  • Density: 5.891021550207632
  • Atomic Density: 0.07864147260627813
  • Unit Cell Volume: 788.3880851316917
  • Molar Volume: 7.657716164790178
  • Full Formula: Ba2 Nb20 Si2 O38
  • Reduced Formula: BaNb10SiO19
  • Formula Anonymous: ABC10D19
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -582.80271843
  • Final energy per atom: -9.400043845645161
  • 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.