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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227856

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-1227856
  • 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: 4
  • Element list: ['Ca', 'Ti', 'Pb', 'O']
  • Chemical System: Ca-O-Pb-Ti
  • Density: 5.003338167800653
  • Atomic Density: 0.08476867949178582
  • Unit Cell Volume: 235.93619860432088
  • Molar Volume: 7.104204991872679
  • Full Formula: Ca3 Ti4 Pb1 O12
  • Reduced Formula: Ca3Ti4PbO12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -167.25713364
  • Final energy per atom: -8.362856682
  • 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.