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  1. Third-Parties
  2. MatprojStructure
  3. mp-818286

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-818286
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Ba', 'Ti', 'Fe', 'Si', 'O']
  • Chemical System: Ba-Fe-O-Si-Ti
  • Density: 4.039207218952162
  • Atomic Density: 0.07585918519203944
  • Unit Cell Volume: 843.668434323179
  • Molar Volume: 7.9385782285359365
  • Full Formula: Ba4 Ti4 Fe8 Si8 O40
  • Reduced Formula: BaTiFe2(SiO5)2
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -525.54984465
  • Final energy per atom: -8.21171632265625
  • 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.