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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229035

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-1229035
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 6
  • Element list: ['Ba', 'Ce', 'Ti', 'Fe', 'Si', 'O']
  • Chemical System: Ba-Ce-Fe-O-Si-Ti
  • Density: 3.802972520172354
  • Atomic Density: 0.0697023375014662
  • Unit Cell Volume: 588.215567363685
  • Molar Volume: 8.639797424115544
  • Full Formula: Ba2 Ce2 Ti2 Fe1 Si8 O26
  • Reduced Formula: Ba2Ce2Ti2Fe(Si4O13)2
  • Formula Anonymous: AB2C2D2E8F26
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -348.98131868
  • Final energy per atom: -8.511739480000001
  • 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.