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  1. Third-Parties
  2. MatprojStructure
  3. mp-9478

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-9478
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ba', 'Si', 'O']
  • Chemical System: Ba-O-Si
  • Density: 3.6825648772395807
  • Atomic Density: 0.07886859155564763
  • Unit Cell Volume: 355.0209208471021
  • Molar Volume: 7.635664136021669
  • Full Formula: Ba2 Si8 O18
  • Reduced Formula: BaSi4O9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 188
  • Spacegroup Symbol: P-6c2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -228.38490131
  • Final energy per atom: -8.156603618214286
  • 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.