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  1. Third-Parties
  2. MatprojStructure
  3. mp-560133

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-560133
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Tl', 'Pb', 'Br', 'O']
  • Chemical System: Br-O-Pb-Tl
  • Density: 6.581582936490973
  • Atomic Density: 0.03296545477362142
  • Unit Cell Volume: 1334.730562710401
  • Molar Volume: 18.268034830263733
  • Full Formula: Tl2 Pb16 Br18 O8
  • Reduced Formula: TlPb8Br9O4
  • Formula Anonymous: AB4C8D9
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -194.59502893
  • Final energy per atom: -4.422614293863637
  • 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.