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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228559

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-1228559
  • 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: 58
  • Number of elements: 3
  • Element list: ['Al', 'Ni', 'B']
  • Chemical System: Al-B-Ni
  • Density: 7.744774394606728
  • Atomic Density: 0.1012750684148339
  • Unit Cell Volume: 572.6977123572564
  • Molar Volume: 5.9463210978368775
  • Full Formula: Al5 Ni41 B12
  • Reduced Formula: Al5Ni41B12
  • Formula Anonymous: A5B12C41
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -357.60769896
  • Final energy per atom: -6.165649982068965
  • 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.