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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201012

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-1201012
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['B', 'Pb', 'O']
  • Chemical System: B-O-Pb
  • Density: 3.1549915816360703
  • Atomic Density: 0.08544373711295385
  • Unit Cell Volume: 1123.5463621293989
  • Molar Volume: 7.048077440759554
  • Full Formula: B32 Pb4 O60
  • Reduced Formula: B8PbO15
  • Formula Anonymous: AB8C15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -750.14816963
  • Final energy per atom: -7.814043433645833
  • 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.