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  1. Third-Parties
  2. MatprojStructure
  3. mp-580327

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-580327
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Gd', 'Al', 'Ni']
  • Chemical System: Al-Gd-Ni
  • Density: 8.091761041627988
  • Atomic Density: 0.06105970598104397
  • Unit Cell Volume: 360.3030778895319
  • Molar Volume: 9.862708415054568
  • Full Formula: Gd6 Al4 Ni12
  • Reduced Formula: Gd3(AlNi3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -180.47975834
  • Final energy per atom: -8.203625379090909
  • 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.