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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203980

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-1203980
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 77
  • Number of elements: 3
  • Element list: ['Lu', 'Ni', 'C']
  • Chemical System: C-Lu-Ni
  • Density: 9.756439985521007
  • Atomic Density: 0.08198365740226772
  • Unit Cell Volume: 939.2115750848428
  • Molar Volume: 7.345538063093808
  • Full Formula: Lu11 Ni60 C6
  • Reduced Formula: Lu11(Ni10C)6
  • Formula Anonymous: A6B11C60
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -474.42009659
  • Final energy per atom: -6.161299955714286
  • 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.