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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182901

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-1182901
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Al', 'B', 'O']
  • Chemical System: Al-B-O
  • Density: 2.6121993944809656
  • Atomic Density: 0.09052781826063631
  • Unit Cell Volume: 640.6870408940342
  • Molar Volume: 6.652254385123708
  • Full Formula: Al12 B10 O36
  • Reduced Formula: Al6B5O18
  • Formula Anonymous: A5B6C18
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -445.95646534
  • Final energy per atom: -7.688904574827586
  • 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.