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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215967

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-1215967
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Zr', 'Ti', 'Pb', 'O']
  • Chemical System: O-Pb-Ti-Zr
  • Density: 7.517444743659376
  • Atomic Density: 0.06818557188948214
  • Unit Cell Volume: 219.9878887033842
  • Molar Volume: 8.831986875113289
  • Full Formula: Zr2 Ti1 Pb3 O9
  • Reduced Formula: Zr2Ti(PbO3)3
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -122.63881339
  • Final energy per atom: -8.175920892666666
  • 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.