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  1. Third-Parties
  2. MatprojStructure
  3. mp-14325

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-14325
  • 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: 38
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'B']
  • Chemical System: B-La-Ni
  • Density: 7.670769327090529
  • Atomic Density: 0.09665257916826842
  • Unit Cell Volume: 393.1607446692495
  • Molar Volume: 6.230708804485896
  • Full Formula: La2 Ni24 B12
  • Reduced Formula: La(Ni2B)6
  • Formula Anonymous: AB6C12
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -244.02104177
  • Final energy per atom: -6.421606362368421
  • 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.