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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202694

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-1202694
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Y', 'Al', 'Ni', 'H']
  • Chemical System: Al-H-Ni-Y
  • Density: 5.8576120921610215
  • Atomic Density: 0.10346009263888481
  • Unit Cell Volume: 386.6225032256182
  • Molar Volume: 5.820737838520568
  • Full Formula: Y6 Al4 Ni12 H18
  • Reduced Formula: Y3Al2(Ni2H3)3
  • Formula Anonymous: A2B3C6D9
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -202.87500845
  • Final energy per atom: -5.07187521125
  • 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.