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  1. Third-Parties
  2. MatprojStructure
  3. mp-12782

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-12782
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Yb', 'Al', 'Ni']
  • Chemical System: Al-Ni-Yb
  • Density: 6.607253087516878
  • Atomic Density: 0.05570920374473801
  • Unit Cell Volume: 143.60284229974542
  • Molar Volume: 10.809956623314363
  • Full Formula: Yb2 Al4 Ni2
  • Reduced Formula: YbAl2Ni
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -33.85074652
  • Final energy per atom: -4.231343315
  • 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.