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  1. Third-Parties
  2. MatprojStructure
  3. mp-560771

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-560771
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'Si', 'O']
  • Chemical System: La-O-Si-Ti
  • Density: 4.628289584606234
  • Atomic Density: 0.08297671344730376
  • Unit Cell Volume: 566.4239766479594
  • Molar Volume: 7.25762748343184
  • Full Formula: La4 Ti9 Si4 O30
  • Reduced Formula: La4Ti9(Si2O15)2
  • Formula Anonymous: A4B4C9D30
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -427.20676905
  • Final energy per atom: -9.089505724468085
  • 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.