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  1. Third-Parties
  2. MatprojStructure
  3. mp-772844

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-772844
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['K', 'Ti', 'P', 'C', 'O']
  • Chemical System: C-K-O-P-Ti
  • Density: 2.2564280128663707
  • Atomic Density: 0.06177992975247344
  • Unit Cell Volume: 356.10270338837995
  • Molar Volume: 9.74773002191524
  • Full Formula: K2 Ti2 P2 C2 O14
  • Reduced Formula: KTiPCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -175.31195582
  • Final energy per atom: -7.968725264545455
  • 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.