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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191707

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-1191707
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Lu', 'Si', 'Ni']
  • Chemical System: Lu-Ni-Si
  • Density: 9.673560820636842
  • Atomic Density: 0.06866574652323565
  • Unit Cell Volume: 320.3926428230919
  • Molar Volume: 8.770225425223014
  • Full Formula: Lu6 Si4 Ni12
  • Reduced Formula: Lu3(SiNi3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -133.66580181
  • Final energy per atom: -6.075718264090909
  • 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.