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  1. Third-Parties
  2. MatprojStructure
  3. mp-866315

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-866315
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 126
  • Number of elements: 3
  • Element list: ['Al', 'Ni', 'B']
  • Chemical System: Al-B-Ni
  • Density: 7.314375449935784
  • Atomic Density: 0.11311116380443609
  • Unit Cell Volume: 1113.9484005119787
  • Molar Volume: 5.324090529571422
  • Full Formula: Al6 Ni72 B48
  • Reduced Formula: Al(Ni3B2)4
  • Formula Anonymous: AB8C12
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -800.71038
  • Final energy per atom: -6.354844285714286
  • 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.