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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199974

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-1199974
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 216
  • Number of elements: 3
  • Element list: ['Al', 'Pb', 'F']
  • Chemical System: Al-F-Pb
  • Density: 6.402051029414362
  • Atomic Density: 0.07043435692048923
  • Unit Cell Volume: 3066.685200857793
  • Molar Volume: 8.550004604710418
  • Full Formula: Al24 Pb40 F152
  • Reduced Formula: Al3Pb5F19
  • Formula Anonymous: A3B5C19
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -1222.093467
  • Final energy per atom: -5.657840125
  • 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.