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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220190

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-1220190
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Pb', 'Br', 'Cl', 'O']
  • Chemical System: Br-Cl-O-Pb
  • Density: 7.074202437461833
  • Atomic Density: 0.03717002513043289
  • Unit Cell Volume: 753.2951592511852
  • Molar Volume: 16.201605295847333
  • Full Formula: Pb12 Br7 Cl1 O8
  • Reduced Formula: Pb12Br7ClO8
  • Formula Anonymous: AB7C8D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -138.77509729000002
  • Final energy per atom: -4.956253474642858
  • 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.