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  1. Third-Parties
  2. MatprojStructure
  3. mp-556804

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-556804
  • 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: 40
  • Number of elements: 4
  • Element list: ['Pr', 'Al', 'B', 'O']
  • Chemical System: Al-B-O-Pr
  • Density: 3.995057295456916
  • Atomic Density: 0.10526962548847155
  • Unit Cell Volume: 379.9766534210815
  • Molar Volume: 5.720682231038721
  • Full Formula: Pr2 Al6 B8 O24
  • Reduced Formula: PrAl3(BO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -333.46298699
  • Final energy per atom: -8.33657467475
  • 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.