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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228420

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-1228420
  • 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: 42
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Co', 'Si', 'O']
  • Chemical System: Ba-Co-La-O-Si
  • Density: 5.204996562438574
  • Atomic Density: 0.06958236679151032
  • Unit Cell Volume: 603.6011986462694
  • Molar Volume: 8.654693764648943
  • Full Formula: Ba1 La8 Co1 Si6 O26
  • Reduced Formula: BaLa8Co(Si3O13)2
  • Formula Anonymous: ABC6D8E26
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -359.62629809
  • Final energy per atom: -8.562530906904762
  • 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.