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  1. Third-Parties
  2. MatprojStructure
  3. mp-995201

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-995201
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Si', 'C']
  • Chemical System: C-Si-Ti
  • Density: 4.457870960467865
  • Atomic Density: 0.07199396720527497
  • Unit Cell Volume: 250.0209489591948
  • Molar Volume: 8.364785264339147
  • Full Formula: Ti10 Si6 C2
  • Reduced Formula: Ti5Si3C
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -144.31055021
  • Final energy per atom: -8.017252789444445
  • 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.