Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215409

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-1215409
  • 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: 15
  • Number of elements: 4
  • Element list: ['Zr', 'Ti', 'Pb', 'O']
  • Chemical System: O-Pb-Ti-Zr
  • Density: 7.439842920410083
  • Atomic Density: 0.07055323975990759
  • Unit Cell Volume: 212.6054033952933
  • Molar Volume: 8.535597770553588
  • Full Formula: Zr1 Ti2 Pb3 O9
  • Reduced Formula: ZrTi2(PbO3)3
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -121.37344436
  • Final energy per atom: -8.091562957333332
  • 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.