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  1. Third-Parties
  2. MatprojStructure
  3. mp-17025

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-17025
  • 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: 32
  • Number of elements: 4
  • Element list: ['Sr', 'Y', 'B', 'O']
  • Chemical System: B-O-Sr-Y
  • Density: 4.026607495422499
  • Atomic Density: 0.07345429105517369
  • Unit Cell Volume: 435.64507315119073
  • Molar Volume: 8.198487349740525
  • Full Formula: Sr6 Y2 B6 O18
  • Reduced Formula: Sr3Y(BO3)3
  • Formula Anonymous: AB3C3D9
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -258.84399721
  • Final energy per atom: -8.0888749128125
  • 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.