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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079056

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-1079056
  • 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: 10
  • Number of elements: 4
  • Element list: ['Zr', 'Ti', 'Pb', 'O']
  • Chemical System: O-Pb-Ti-Zr
  • Density: 7.511121960313763
  • Atomic Density: 0.06964420514727182
  • Unit Cell Volume: 143.58696432608696
  • Molar Volume: 8.647009104727942
  • Full Formula: Zr1 Ti1 Pb2 O6
  • Reduced Formula: ZrTi(PbO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -81.40023223
  • Final energy per atom: -8.140023223
  • 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.