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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211286

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-1211286
  • 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: 68
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'B', 'O']
  • Chemical System: B-Li-O-Y
  • Density: 3.684683445883209
  • Atomic Density: 0.1005765176537124
  • Unit Cell Volume: 676.1021517381005
  • Molar Volume: 5.98762106750841
  • Full Formula: Li12 Y8 B12 O36
  • Reduced Formula: Li3Y2(BO3)3
  • Formula Anonymous: A2B3C3D9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -543.6813776199999
  • Final energy per atom: -7.995314376764704
  • 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.