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  1. Third-Parties
  2. MatprojStructure
  3. mp-684721

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-684721
  • 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: 20
  • Number of elements: 5
  • Element list: ['Ti', 'Nb', 'Zn', 'Pb', 'O']
  • Chemical System: Nb-O-Pb-Ti-Zn
  • Density: 7.951559203604604
  • Atomic Density: 0.07256016032548952
  • Unit Cell Volume: 275.63334907591485
  • Molar Volume: 8.299514131426875
  • Full Formula: Ti1 Nb2 Zn1 Pb4 O12
  • Reduced Formula: TiNb2Zn(PbO3)4
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -150.62188042
  • Final energy per atom: -7.5310940209999995
  • 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.