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  1. Third-Parties
  2. MatprojStructure
  3. mp-15363

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-15363
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Li', 'Yb', 'B', 'O']
  • Chemical System: B-Li-O-Yb
  • Density: 3.322663175208042
  • Atomic Density: 0.09720484319022368
  • Unit Cell Volume: 781.8540466268007
  • Molar Volume: 6.195309371792365
  • Full Formula: Li24 Yb4 B12 O36
  • Reduced Formula: Li6Yb(BO3)3
  • Formula Anonymous: AB3C6D9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -514.23850315
  • Final energy per atom: -6.766296094078948
  • 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.