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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217515

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-1217515
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Ti', 'Pb']
  • Chemical System: Pb-Ti
  • Density: 6.978068288840236
  • Atomic Density: 0.05405436349307665
  • Unit Cell Volume: 295.9983055216125
  • Molar Volume: 11.140896628578975
  • Full Formula: Ti13 Pb3
  • Reduced Formula: Ti13Pb3
  • Formula Anonymous: A3B13
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -114.2332829
  • Final energy per atom: -7.13958018125
  • 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.