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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202315

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-1202315
  • 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: 136
  • Number of elements: 6
  • Element list: ['Ti', 'Si', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Si-Ti
  • Density: 0.9961385600739311
  • Atomic Density: 0.07312389940323359
  • Unit Cell Volume: 1859.857052344038
  • Molar Volume: 8.235530119628297
  • Full Formula: Ti2 Si14 H84 C28 Cl4 O4
  • Reduced Formula: TiSi7H42C14(ClO)2
  • Formula Anonymous: AB2C2D7E14F42
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -713.50807434
  • Final energy per atom: -5.2463828995588235
  • 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.