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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227980

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-1227980
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Ba', 'Zr', 'Ti', 'Pb', 'O']
  • Chemical System: Ba-O-Pb-Ti-Zr
  • Density: 7.103410290006317
  • Atomic Density: 0.06979940283473267
  • Unit Cell Volume: 358.16925338449784
  • Molar Volume: 8.62778263914221
  • Full Formula: Ba1 Zr2 Ti3 Pb4 O15
  • Reduced Formula: BaZr2Ti3Pb4O15
  • Formula Anonymous: AB2C3D4E15
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -204.71317557
  • Final energy per atom: -8.1885270228
  • 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.