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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216408

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-1216408
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Zr', 'Ti', 'Pb', 'O']
  • Chemical System: O-Pb-Ti-Zr
  • Density: 3.3718292613918277
  • Atomic Density: 0.0316871464473509
  • Unit Cell Volume: 788.9634379523009
  • Molar Volume: 19.004995511369128
  • Full Formula: Zr2 Ti3 Pb5 O15
  • Reduced Formula: Zr2Ti3(PbO3)5
  • Formula Anonymous: A2B3C5D15
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -190.86368477
  • Final energy per atom: -7.6345473908
  • 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.