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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228218

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-1228218
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Ba', 'Ti', 'Pb', 'O']
  • Chemical System: Ba-O-Pb-Ti
  • Density: 6.3100024719121715
  • Atomic Density: 0.07687060538659507
  • Unit Cell Volume: 325.221843567783
  • Molar Volume: 7.83412688076756
  • Full Formula: Ba4 Ti5 Pb1 O15
  • Reduced Formula: Ba4Ti5PbO15
  • Formula Anonymous: AB4C5D15
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -208.0560476
  • Final energy per atom: -8.322241904
  • 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.