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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198230

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-1198230
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Ti', 'C', 'O']
  • Chemical System: C-O-Ti
  • Density: 2.067475073749079
  • Atomic Density: 0.061368013994594524
  • Unit Cell Volume: 847.3469583777033
  • Molar Volume: 9.813158953669982
  • Full Formula: Ti8 C8 O36
  • Reduced Formula: Ti2C2O9
  • Formula Anonymous: A2B2C9
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -413.41975119
  • Final energy per atom: -7.950379830576923
  • 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.