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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193276

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-1193276
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ti', 'Zn', 'O', 'F']
  • Chemical System: F-O-Ti-Zn
  • Density: 2.6597460422209127
  • Atomic Density: 0.06936866768716066
  • Unit Cell Volume: 403.6404465237045
  • Molar Volume: 8.681355662125004
  • Full Formula: Ti2 Zn2 O12 F12
  • Reduced Formula: TiZn(OF)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -127.81850306
  • Final energy per atom: -4.564946537857143
  • 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.