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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105287

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-1105287
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Ti', 'Pb', 'O', 'F']
  • Chemical System: F-O-Pb-Ti
  • Density: 5.954853818776503
  • Atomic Density: 0.07737883810114567
  • Unit Cell Volume: 219.69831050937296
  • Molar Volume: 7.782671474244889
  • Full Formula: Ti4 Pb2 O9 F2
  • Reduced Formula: Ti4Pb2O9F2
  • Formula Anonymous: A2B2C4D9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -140.48405258
  • Final energy per atom: -8.26376779882353
  • 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.