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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181261

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-1181261
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 148
  • Number of elements: 4
  • Element list: ['K', 'Ti', 'C', 'O']
  • Chemical System: C-K-O-Ti
  • Density: 2.0581241765064964
  • Atomic Density: 0.06403103039522304
  • Unit Cell Volume: 2311.3793279053866
  • Molar Volume: 9.405034907027321
  • Full Formula: K16 Ti8 C32 O92
  • Reduced Formula: K4Ti2C8O23
  • Formula Anonymous: A2B4C8D23
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1051.07573811
  • Final energy per atom: -7.101863095337838
  • 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.