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  1. Third-Parties
  2. MatprojStructure
  3. mp-559460

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-559460
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'Si', 'O']
  • Chemical System: Cs-O-Si-Ti
  • Density: 3.1710059482366444
  • Atomic Density: 0.0634618311332246
  • Unit Cell Volume: 756.360148184729
  • Molar Volume: 9.489390161714368
  • Full Formula: Cs4 Ti2 Si12 O30
  • Reduced Formula: Cs2Ti(Si2O5)3
  • Formula Anonymous: AB2C6D15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -386.13595124000005
  • Final energy per atom: -8.044498984166667
  • 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.