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  1. Third-Parties
  2. MatprojStructure
  3. mp-31408

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-31408
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 3
  • Element list: ['Al', 'B', 'O']
  • Chemical System: Al-B-O
  • Density: 2.7096812473374015
  • Atomic Density: 0.09882962590586149
  • Unit Cell Volume: 252.9605851570594
  • Molar Volume: 6.093457002191115
  • Full Formula: Al4 B6 O15
  • Reduced Formula: Al4(B2O5)3
  • Formula Anonymous: A4B6C15
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -206.36489534
  • Final energy per atom: -8.2545958136
  • 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.