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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191204

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-1191204
  • 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: 4
  • Element list: ['K', 'Ti', 'H', 'F']
  • Chemical System: F-H-K-Ti
  • Density: 2.498842952049751
  • Atomic Density: 0.06365146247883458
  • Unit Cell Volume: 345.63227839918767
  • Molar Volume: 9.461119235088253
  • Full Formula: K4 Ti2 H2 F14
  • Reduced Formula: K2TiHF7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -125.09352045
  • Final energy per atom: -5.686069111363636
  • 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.