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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228423

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-1228423
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Ba', 'Ti', 'Co', 'Si', 'O']
  • Chemical System: Ba-Co-O-Si-Ti
  • Density: 4.290448784096927
  • Atomic Density: 0.06593138738471388
  • Unit Cell Volume: 788.6987072875725
  • Molar Volume: 9.133951216376538
  • Full Formula: Ba8 Ti3 Co1 Si8 O32
  • Reduced Formula: Ba8Ti3Co(SiO4)8
  • Formula Anonymous: AB3C8D8E32
  • Spacegroup Number: 75
  • Spacegroup Symbol: P4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -418.70408742000006
  • Final energy per atom: -8.052001681153847
  • 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.