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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201103

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-1201103
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Ti', 'C', 'N', 'O']
  • Chemical System: C-N-O-Ti
  • Density: 1.2675398699922753
  • Atomic Density: 0.04964597887271989
  • Unit Cell Volume: 1289.1275678958873
  • Molar Volume: 12.130168236664831
  • Full Formula: Ti2 C14 N24 O24
  • Reduced Formula: TiC7(NO)12
  • Formula Anonymous: AB7C12D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -426.84147319
  • Final energy per atom: -6.66939801859375
  • 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.