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  1. Third-Parties
  2. MatprojStructure
  3. mp-573282

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-573282
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'C']
  • Chemical System: C-La-Ni
  • Density: 8.471794923224525
  • Atomic Density: 0.08582001589690279
  • Unit Cell Volume: 1258.4476811300344
  • Molar Volume: 7.017175069315429
  • Full Formula: La8 Ni88 C12
  • Reduced Formula: La2Ni22C3
  • Formula Anonymous: A2B3C22
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -671.2463987
  • Final energy per atom: -6.215244432407407
  • 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.