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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216074

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-1216074
  • 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: 7
  • Number of elements: 3
  • Element list: ['Y', 'Si', 'Ni']
  • Chemical System: Ni-Si-Y
  • Density: 4.81917598676198
  • Atomic Density: 0.04958956174005352
  • Unit Cell Volume: 141.15873894376637
  • Molar Volume: 12.143968506049353
  • Full Formula: Y3 Si3 Ni1
  • Reduced Formula: Y3Si3Ni
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -46.8486771
  • Final energy per atom: -6.692668157142857
  • 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.