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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220836

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-1220836
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Pb', 'Br', 'F']
  • Chemical System: Br-F-Pb
  • Density: 5.232709737061424
  • Atomic Density: 0.03560708725921206
  • Unit Cell Volume: 252.758669488518
  • Molar Volume: 16.91275873300192
  • Full Formula: Pb3 Br1 F5
  • Reduced Formula: Pb3BrF5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -43.2948845
  • Final energy per atom: -4.810542722222222
  • 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.