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  1. Third-Parties
  2. MatprojStructure
  3. mp-582134

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-582134
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 2
  • Element list: ['Y', 'Ni']
  • Chemical System: Ni-Y
  • Density: 5.562940278562986
  • Atomic Density: 0.043608995066779475
  • Unit Cell Volume: 1834.4839150155633
  • Molar Volume: 13.8094004477245
  • Full Formula: Y48 Ni32
  • Reduced Formula: Y3Ni2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -523.83197582
  • Final energy per atom: -6.54789969775
  • 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.