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  1. Third-Parties
  2. MatprojStructure
  3. mp-39866

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-39866
  • 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: 42
  • Number of elements: 5
  • Element list: ['Ba', 'Sm', 'Si', 'Se', 'O']
  • Chemical System: Ba-O-Se-Si-Sm
  • Density: 5.961837927882828
  • Atomic Density: 0.06891955257631388
  • Unit Cell Volume: 609.406161676599
  • Molar Volume: 8.737927822923325
  • Full Formula: Ba2 Sm8 Si6 Se2 O24
  • Reduced Formula: BaSm4Si3SeO12
  • Formula Anonymous: ABC3D4E12
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -346.76810016
  • Final energy per atom: -8.256383337142857
  • 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.