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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191851

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-1191851
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Yb', 'Si', 'Ni']
  • Chemical System: Ni-Si-Yb
  • Density: 9.359166863802008
  • Atomic Density: 0.0668481844941774
  • Unit Cell Volume: 329.1039265534016
  • Molar Volume: 9.008682592605847
  • Full Formula: Yb6 Si4 Ni12
  • Reduced Formula: Yb3(SiNi3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -113.21932612
  • Final energy per atom: -5.1463330054545455
  • 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.