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  1. Third-Parties
  2. MatprojStructure
  3. mp-615459

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-615459
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'C']
  • Chemical System: C-La-Ni
  • Density: 7.267028723106658
  • Atomic Density: 0.07206050782996268
  • Unit Cell Volume: 277.5445330914532
  • Molar Volume: 8.357061227226046
  • Full Formula: La4 Ni10 C6
  • Reduced Formula: La2Ni5C3
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -138.9178731
  • Final energy per atom: -6.945893655000001
  • 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.