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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207795

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-1207795
  • 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: 22
  • Number of elements: 3
  • Element list: ['Y', 'Si', 'Ni']
  • Chemical System: Ni-Si-Y
  • Density: 6.625101914855768
  • Atomic Density: 0.06501310152965067
  • Unit Cell Volume: 338.3933312267283
  • Molar Volume: 9.262964876784824
  • Full Formula: Y6 Si4 Ni12
  • Reduced Formula: Y3(SiNi3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -144.08794084
  • Final energy per atom: -6.5494518563636355
  • 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.