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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203146

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-1203146
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 6
  • Element list: ['Ti', 'Si', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Si-Ti
  • Density: 1.0811496229849837
  • Atomic Density: 0.07951650414674237
  • Unit Cell Volume: 1257.600558186722
  • Molar Volume: 7.573447581255011
  • Full Formula: Ti2 Si6 H60 C20 N8 Cl4
  • Reduced Formula: TiSi3H30C10(N2Cl)2
  • Formula Anonymous: AB2C3D4E10F30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -549.88931058
  • Final energy per atom: -5.498893105800001
  • 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.