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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224603

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-1224603
  • 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: 4
  • Element list: ['Hf', 'Ti', 'Pb', 'O']
  • Chemical System: Hf-O-Pb-Ti
  • Density: 9.112326533397239
  • Atomic Density: 0.07193248862093923
  • Unit Cell Volume: 347.5481034966252
  • Molar Volume: 8.3719344005109
  • Full Formula: Hf3 Ti2 Pb5 O15
  • Reduced Formula: Hf3Ti2(PbO3)5
  • Formula Anonymous: A2B3C5D15
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -210.22971333
  • Final energy per atom: -8.4091885332
  • 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.