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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196229

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-1196229
  • 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: 86
  • Number of elements: 3
  • Element list: ['La', 'B', 'O']
  • Chemical System: B-La-O
  • Density: 5.760311138044668
  • Atomic Density: 0.06585627887343844
  • Unit Cell Volume: 1305.873964808632
  • Molar Volume: 9.144368408019616
  • Full Formula: La26 B8 O52
  • Reduced Formula: La13(B2O13)2
  • Formula Anonymous: A4B13C26
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -755.07151365
  • Final energy per atom: -8.779901321511629
  • 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.